SCHEMBL21436337

SCHEMBL21436337

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

nearest known ligand 0.37

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 12/20 0.37
P2RY12 known ✓ Q9H244 3/20 0.33
P2RY2 known ✓ P41231 7/20 0.33
P2RY1 known ✓ P47900 2/20 0.32
P2RY6 known ✓ Q15077 1/20 0.32
THRB known ✓ P10828 1/20 0.32
NFKB1 P19838 1/20 0.33
CDK2 P24941 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
MAPK1 P28482 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
NSD2 O96028 1/20 0.32
POLB P06746 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5410698 0.98 P2RY4 (0.35) P2RY4P2RY12NFKB1P2RY2CDK2
SCHEMBL21436616 0.98 P2RY4 (0.35) P2RY4P2RY12NFKB1P2RY2CDK2
SCHEMBL341149 0.96 P2RY4 (0.37) P2RY4P2RY12NFKB1P2RY2CDK2
SCHEMBL375654 0.94 P2RY4 (0.35) P2RY4NFKB1P2RY2CDK2P2RY1
SCHEMBL21436773 0.94 P2RY4 (0.35) P2RY4NFKB1P2RY2CDK2P2RY1
SCHEMBL571587 0.94 P2RY4 (0.35) P2RY4NFKB1P2RY2CDK2P2RY1
SCHEMBL21436596 0.89 P2RY4 (0.35) P2RY4P2RY12P2RY2CDK2MEN1
SCHEMBL21436523 0.89 P2RY4 (0.32) P2RY4ALDH1A1MAPTHPGDMAPK1
SCHEMBL21436561 0.87 P2RY4 (0.33) P2RY4P2RY12P2RY2MEN1POLB
SCHEMBL341437 0.85 P2RY4 (0.38) P2RY4P2RY12P2RY2CDK2P2RY1

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 18 patents. 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-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
EP-3890683-A1 MULTICOMPONENT IN SITU COLORATION COMPOSITION HFC Prestige International Holding Switzerland S.a.r.l. (CH) 2021-10-13 EP disclosed
US-20210290519-A1 MULTICOMPONENT SILICONE COMPOSITION WELLA INT OPERATIONS SWITZERLAND SARL (CH) 2021-09-23 US disclosed
US-20210290518-A1 MULTICOMPONENT COMPOSITION HFC PRESTIGE INTERNATIONAL 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-3817710-A1 MULTICOMPONENT SILICONE COMPOSITION HFC Prestige International Holding Switzerland S.a.r.l. (CH) 2021-05-12 EP disclosed
EP-3817825-A1 MULTICOMPONENT PUR COMPOSITION HFC Prestige International Holding Switzerland S.a.r.l. (CH) 2021-05-12 EP disclosed
EP-3787753-A1 MULTICOMPONENT COMPOSITION HFC Prestige International Holding Switzerland S.a.r.l. (CH) 2021-03-10 EP disclosed
EP-3773922-A1 BICOMPONENT COMPOSITION HFC Prestige International Holding Switzerland S.a.r.l. (CH) 2021-02-17 EP disclosed
WO-2020114647-A1 MULTICOMPONENT IN SITU COLORATION COMPOSITION HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2020-06-11 WO disclosed
WO-2020007510-A1 MULTICOMPONENT PUR COMPOSITION HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2020-01-09 WO disclosed
WO-2020007511-A1 MULTICOMPONENT SILICONE COMPOSITION HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2020-01-09 WO disclosed
WO-2019192916-A1 BICOMPONENT COMPOSITION HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2019-10-10 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 (7 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-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-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.