SCHEMBL10017874

SCHEMBL10017874

C[N+](C)(C)CCSc1cc(Nc2cccc(S(=O)(=O)CCO)c2)c2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 3/20 0.48
▸ GNB1 P62873 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ PHLPP2 Q6ZVD8 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ P2RY4 P51582 12/20 0.43
▸ PRKCA P17252 1/20 0.42
▸ P2RY2 P41231 7/20 0.42
▸ P2RY12 Q9H244 7/20 0.42
▸ P2RY6 Q15077 4/20 0.42
▸ CHAT P28329 2/20 0.41
▸ ENPP3 O14638 1/20 0.41

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
SCHEMBL10017875 0.90 GNG2 (0.48) GNG2GNB1ALDH1A1CYP1A2CYP3A4
SCHEMBL10017873 0.89 GNG2 (0.48) GNG2GNB1ALDH1A1CYP1A2CYP3A4
SCHEMBL10017872 0.80 GNG2 (0.76) GNG2GNB1ALDH1A1CYP1A2CYP3A4
SCHEMBL11598798 0.79 GNG2 (0.74) GNG2GNB1ALDH1A1CYP1A2CYP3A4
SCHEMBL11233506 0.78 P2RY4 (0.68) P2RY4P2RY2P2RY12P2RY6CDK2
SCHEMBL13226273 0.77 P2RY4 (0.51) GNG2GNB1ALDH1A1CYP1A2CYP3A4
SCHEMBL20308868 0.75 GNG2 (0.43) GNG2GNB1ALDH1A1CYP1A2CYP3A4
SCHEMBL13671214 0.73 MEN1 (0.45) ALDH1A1CYP1A2CYP3A4HPGDALOX15
SCHEMBL19708510 0.72 GNG2 (0.76) GNG2GNB1ALDH1A1CYP1A2CYP3A4
SCHEMBL582631 0.71 MEN1 (0.57) GNG2GNB1CYP1A2CYP2C9ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8206464-B2 Blue polymeric hair dyes BASF SE (DE) 2012-06-26 — — US disclosed
US-8118882-B2 Polymeric hair dyes BASF SE (DE) 2012-02-21 — — US disclosed
US-20110061179-A1 BLUE POLYMERIC HAIR DYES BASF SE (US) 2011-03-17 — — US disclosed
US-20110061180-A1 POLYMERIC HAIR DYES BASF SE (US) 2011-03-17 — — US disclosed
WO-2009090124-A1 BLUE POLYMERIC HAIR DYES BASF SE (DE) 2009-07-23 — — WO disclosed
WO-2009090122-A2 POLYMERIC HAIR DYES BASF SE (DE) 2009-07-23 — — 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 (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-20110061180-A1 POLYMERIC HAIR DYES SRM, SMOX, POLR1C GNG2 1641/4885GNB1 2173/4885ALDH1A1 1187/4885
US-20110061179-A1 BLUE POLYMERIC HAIR DYES CUTA, IK, TYR GNG2 1133/4885GNB1 2305/4885ALDH1A1 2076/4885

“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.

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