SCHEMBL4848699

SCHEMBL4848699

C[n+]1cccc2ccccc21.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

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
LMNA P02545 3/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 5/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TERT O14746 1/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
THPO P40225 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 2/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ACHE P22303 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
Water SCHEMBL7556226 0.98 LMNA (0.44) LMNAHTTSMN1; SMN2KDM4EMEN1
SCHEMBL11067593 0.90 GAA (0.45) LMNAHTTSMN1; SMN2KDM4EMEN1
SCHEMBL11069688 0.88 ACHE (0.45) LMNAHTTSMN1; SMN2KDM4EMEN1
Sulfuric Acid SCHEMBL9352881 0.85 ACHE (0.44) KDM4EKMT2AALDH1A1GAAHPGD
SCHEMBL29462670 0.83 ACHE (0.43) KDM4EKMT2AALDH1A1GAAHPGD
SCHEMBL11073869 0.83 ACHE (0.43) KDM4EKMT2AALDH1A1GAAHPGD
Sulfuric Acid SCHEMBL9352888 0.82 ACHE (0.42) KDM4EMEN1KMT2ATERTALDH1A1
SCHEMBL11847896 0.81 LMNA (0.40) LMNAHTTSMN1; SMN2KDM4EMEN1
1-Ethylquinolonium SCHEMBL11069884 0.81 KDM4E (0.50) LMNAHTTSMN1; SMN2KDM4EMEN1
SCHEMBL1001565 0.80 KDM4E (0.46) LMNAHTTSMN1; SMN2KDM4ETERT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220008307-A1 TWO-COMPONENT SYSTEM FOR ARTIFICIAL HAIR DYEING HENKEL AG & CO. KGAA (DE) 2022-01-13 US claimed
EP-3873407-A1 TWO-COMPONENT SYSTEM FOR ARTIFICIAL HAIR DYEING Henkel AG & Co. KGaA (DE) 2021-09-08 EP claimed
US-4431774-A QUINOLINIUM SULFONATES AS LATENT ACID CATALYSTS; RADIATION; DECOMPOSITION; STORAGE STABILITY CIBA-GEIGY CORPORATION (US) 1984-02-14 US claimed
US-20220008307-A1 TWO-COMPONENT SYSTEM FOR ARTIFICIAL HAIR DYEING HENKEL AG & CO. KGAA (DE) 2022-01-13 US disclosed
EP-3873407-A1 TWO-COMPONENT SYSTEM FOR ARTIFICIAL HAIR DYEING Henkel AG & Co. KGaA (DE) 2021-09-08 EP disclosed
US-7378240-B2 Synthesis and evaluation of new cyanine dyes as minor groove of [POLY(dA-dT)]2 binders LIGHT UP TECHNOLOGIES AB (SE) 2008-05-27 US disclosed
EP-1773289-A1 BLEACHING AGENTS COMPRISING CARBONIC ACID DERIVATIVES Henkel Kommanditgesellschaft auf Aktien (DE) 2007-04-18 EP disclosed
WO-2006018089-A1 OXIDATION COLORANTS COMPRISING DIAMINOBENZENE DERIVATIVES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-02-23 WO disclosed
WO-2005123021-A1 BLEACHING AGENTS COMPRISING CARBONIC ACID DERIVATIVES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-29 WO disclosed
EP-1390433-B1 SYNTHESIS AND EVALUATION OF NEW CYANINE DYES AS MINOR GROOVE OF POLY(DA-DT)] 2 BINDERS LIGHT UP TECHNOLOGIES AB (SE) 2005-02-16 EP disclosed
US-20040132046-A1 Synthesis and evaluation of new cyanine dyes as minor groove of [POLY (dA-dT)]2 binders LIGHT UP TECHNOLOGIES AB (SE) 2004-07-08 US disclosed
EP-1390433-A1 SYNTHESIS AND EVALUATION OF NEW CYANINE DYES AS MINOR GROOVE OF POLY(DA-DT)] 2 BINDERS Light Up Technologies AB (SE) 2004-02-25 EP disclosed
WO-2002090443-A1 SYNTHESIS AND EVALUATION OF NEW CYANINE DYES AS MINOR GROOVE OF [POLY(DA-DT)]2 BINDERS LIGHT UP TECHNOLOGIES AB (SE) 2002-11-14 WO disclosed
US-4431774-A QUINOLINIUM SULFONATES AS LATENT ACID CATALYSTS; RADIATION; DECOMPOSITION; STORAGE STABILITY CIBA-GEIGY CORPORATION (US) 1984-02-14 US disclosed
US-3966720-A Process for producing desacetoxy cephalosporanic acid compound NIKKEN CHEMICALS CO., LTD. (JA) 1976-06-29 US 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 (2 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-20220008307-A1 TWO-COMPONENT SYSTEM FOR ARTIFICIAL HAIR DYEING KRT18, ALPG, AR LMNA 2211/4885HTT 1185/4885SMN1; SMN2 3158/4885
US-20040132046-A1 Synthesis and evaluation of new cyanine dyes as minor groove of [POLY (dA-dT)]2 binders DRD4, FUT4, DRD1 LMNA 3593/4885HTT 777/4885SMN1; SMN2 4549/4885

“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.