SCHEMBL4104253

SCHEMBL4104253

Cc1cc(N/N=C2\C(=O)C=Cc3ccccc32)c(S(=O)(=O)[O-])cc1Cl.[Na+]

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY4 known ✓ P51582 11/20 0.40
P2RY12 known ✓ Q9H244 3/20 0.38
P2RY2 known ✓ P41231 6/20 0.35
THRB known ✓ P10828 3/20 0.34
P2RY1 known ✓ P47900 2/20 0.34
CDK2 P24941 1/20 0.34
MEN1 O00255 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
KMT2A Q03164 4/20 0.34
POLB P06746 3/20 0.34
HPGD P15428 3/20 0.34
RECQL P46063 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
NSD2 O96028 2/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MET P08581 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4101684 0.98 P2RY4 (0.38) P2RY4P2RY12P2RY2CDK2MEN1
SCHEMBL21436543 0.96 P2RY4 (0.40) P2RY4P2RY12P2RY2CDK2MEN1
SCHEMBL21436270 0.91 P2RY4 (0.37) P2RY4P2RY12P2RY2CDK2MEN1
SCHEMBL21436640 0.88 P2RY4 (0.37) P2RY4P2RY12P2RY2CDK2MEN1
SCHEMBL341460 0.84 P2RY12 (0.35) P2RY4P2RY12MEN1ALDH1A1MAPT
SCHEMBL21436647 0.84 P2RY4 (0.41) P2RY4P2RY12P2RY2CDK2MEN1
SCHEMBL21436337 0.81 P2RY4 (0.37) P2RY4P2RY12P2RY2CDK2MEN1
SCHEMBL2861511 0.81 MAPT (0.39) P2RY4P2RY12P2RY2CDK2MEN1
SCHEMBL5410698 0.79 P2RY4 (0.35) P2RY4P2RY12P2RY2CDK2MEN1
SCHEMBL21436616 0.79 P2RY4 (0.35) P2RY4P2RY12P2RY2CDK2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310300-A1 HAIR COLOURING COMPOSITIONS COMPRISING A BIO-BASED POLYMER AND A CROSSLINKER HFC PRESTIGE SERVICE GERMINY GMBH (DE) 2023-10-05 US disclosed
EP-4171500-A1 HAIR COLOURING COMPOSITIONS COMPRISING A BIO-BASED POLYMER AND A CROSSLINKER Wella Germany GmbH (DE) 2023-05-03 EP disclosed
US-11384033-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants BASF SE (DE) 2022-07-12 US disclosed
US-11324688-B2 Bicomponent composition WELLA INTERNATIONAL OPERATIONS SWI (CH) 2022-05-10 US disclosed
US-20220054392-A1 MULTICOMPONENT IN SITU COLORATION COMPOSITION WELLA INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2022-02-24 US disclosed
US-20220016017-A1 COLOR COATINGS WITH DOWNSTREAM FEATURES HFC PRESTIGE SERVICE GERMANY GMBH (DE) 2022-01-20 US disclosed
WO-2022002983-A1 HAIR COLOURING COMPOSITIONS COMPRISING A BIO-BASED POLYMER AND A CROSSLINKER HFC PRESTIGE SERVICE GERMANY GMBH (DE) 2022-01-06 WO disclosed
US-20210290518-A1 MULTICOMPONENT COMPOSITION HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2021-09-23 US disclosed
US-20210290519-A1 MULTICOMPONENT SILICONE COMPOSITION WELLA INT OPERATIONS SWITZERLAND SARL (CH) 2021-09-23 US disclosed
US-20210145726-A1 BICOMPONENT COMPOSITION HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2021-05-20 US disclosed
EP-1083861-B1 HYDROUS COSMETIC OR PHARMACEUTICAL STICKS BEIERSDORF AG (DE) 2005-09-21 EP disclosed
US-20050002974-A1 Itch-relieving cosmetic or dermatological preparation BEIERSDORF AG (DE) 2005-01-06 US disclosed
EP-1458332-A1 CLEANING PRODUCTS BASED ON MICROEMULSIONS THAT CONTAIN OIL Beiersdorf AG (DE) 2004-09-22 EP disclosed
EP-1450760-A2 ITCH-RELIEVING COSMETIC AND DERMATOLOGICAL PREPARATIONS Beiersdorf AG (DE) 2004-09-01 EP disclosed
WO-2004024110-A1 COSMETIC PREPARATION BASED ON OIL-CONTAINING MICROEMULSIONS BEIERSDORF AG (DE) 2004-03-25 WO disclosed
WO-2003051319-A1 CLEANING PRODUCTS BASED ON MICROEMULSIONS THAT CONTAIN OIL BEIERSDORF AG (DE) 2003-06-26 WO disclosed
WO-2003045349-A2 ITCH-RELIEVING COSMETIC AND DERMATOLOGICAL PREPARATIONS BEIERSDORF AG (DE) 2003-06-05 WO disclosed
EP-1310235-A2 Emulsifier-free cosmetic and dermatological sunscreen formulations comprising hydroxybenzophenones Beiersdorf AG (DE) 2003-05-14 EP disclosed
EP-1083861-A1 HYDROUS COSMETIC OR PHARMACEUTICAL STICKS Beiersdorf Aktiengesellschaft (DE) 2001-03-21 EP disclosed
WO-1999065454-A1 HYDROUS COSMETIC OR PHARMACEUTICAL STICKS BEIERSDORF AG (DE) 1999-12-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050002974-A1 Itch-relieving cosmetic or dermatological preparation ITCH, SMURF2, SMURF1 P2RY4 2047/4885P2RY12 554/4885P2RY2 1847/4885
US-20220016017-A1 COLOR COATINGS WITH DOWNSTREAM FEATURES KRT18, ITGA5, FLNA P2RY4 3803/4885P2RY12 4091/4885P2RY2 3753/4885
US-20230310300-A1 HAIR COLOURING COMPOSITIONS COMPRISING A BIO-BASED POLYMER AND A CROSSLINKER KRT18, MKI67, IK P2RY4 4027/4885P2RY12 4452/4885P2RY2 4412/4885
US-20210290519-A1 MULTICOMPONENT SILICONE COMPOSITION CUTA, CD99, PLOD3 P2RY4 3665/4885P2RY12 3969/4885P2RY2 3818/4885
US-20220054392-A1 MULTICOMPONENT IN SITU COLORATION COMPOSITION KRT18, PRKDC, VIM P2RY4 4672/4885P2RY12 4739/4885P2RY2 4696/4885
US-11324688-B2 Bicomponent composition KRT18, EXOSC10, EXOSC9 P2RY4 3269/4885P2RY12 3317/4885P2RY2 2950/4885
US-20210290518-A1 MULTICOMPONENT COMPOSITION KRT18, INCENP, IK P2RY4 2954/4885P2RY12 3594/4885P2RY2 3510/4885
US-11384033-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants SLC14A1, XDH, PNP P2RY4 1162/4885P2RY12 486/4885P2RY2 539/4885
US-20210145726-A1 BICOMPONENT COMPOSITION KRT18, EXOSC10, EXOSC9 P2RY4 3269/4885P2RY12 3317/4885P2RY2 2950/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.