SCHEMBL4905086

SCHEMBL4905086

Nc1cccc(C(=O)Nc2ccc(N)c(S(=O)(=O)O)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.54
▸ ULK1 O75385 1/20 0.52
▸ HDAC3 O15379 1/20 0.50
▸ BRAF P15056 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ CNR1 P21554 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ KDM4C Q9H3R0 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47

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
SCHEMBL4903434 0.89 PTGS1 (0.54) PTGS1ULK1HDAC3BRAFHDAC4
SCHEMBL8673667 0.87 KCNK3 (0.54) SMN1; SMN2PRMT1MEN1KMT2ATP53
SCHEMBL394298 0.85 MEN1 (0.60) PTGS1HDAC3BRAFHDAC4HDAC1
SCHEMBL8952302 0.82 POLB (0.60) PTGS1HDAC3BRAFHDAC4HDAC1
SCHEMBL10797525 0.82 PTGS1 (0.62) PTGS1ULK1HDAC3BRAFHDAC4
SCHEMBL11438759 0.81 ULK1 (0.53) PTGS1ULK1HDAC3BRAFHDAC4
SCHEMBL4903408 0.81 HSD17B10 (0.55) PTGS1ULK1HDAC3BRAFHDAC4
SCHEMBL11239551 0.81 PTGS1 (0.56) PTGS1ULK1CNR1SMN1; SMN2HSD17B10
SCHEMBL2127722 0.81 PTGS1 (0.77) PTGS1ULK1HDAC3BRAFHDAC4
SCHEMBL11764466 0.80 ENPP2 (0.61) PTGS1ULK1CNR1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101731-B2 Yellow anionic disazo dyes CIBA SPECIALTY CHEMICALS CORPORATION 2012-01-24 — — US disclosed
US-8101731-B2 Yellow anionic disazo dyes CIBA SPECIALTY CHEMICALS CORPORATION 2012-01-24 — — US disclosed
US-20100199443-A1 YELLO ANIONIC DISAZO DYES LENNARTZ MICHAEL 2010-08-12 — — US disclosed
US-20100199443-A1 YELLO ANIONIC DISAZO DYES LENNARTZ MICHAEL 2010-08-12 — — US disclosed
US-7723494-B2 Yellow anionic disazo dyes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 — — US disclosed
US-7723494-B2 Yellow anionic disazo dyes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 — — US disclosed
US-20080119643-A1 4,4'-Diazobenzanilide Dyestuffs LENNARTZ MICHAEL 2008-05-22 — — US disclosed
US-20080114158-A1 Yellow anionic disazo dyes LENNARTZ MICHAEL 2008-05-15 — — US disclosed
US-20080114158-A1 Yellow anionic disazo dyes LENNARTZ MICHAEL 2008-05-15 — — US disclosed
US-7341607-B2 Based on diaminobenzanilides or, more specifically (aminobenzoylamino),(sulfo-),(methoxy)anilines; stable aqueous solutions;nonbleeding/colorfastness; excellent degrees of exhaustion with high colour strength; dyeing natural or synthetic materials, particularly, paper; neutral or greenish-yellow hues CIBA SPECIALTY CHEMICALS CORP. (US) 2008-03-11 — — US disclosed
US-20080047079-A1 Reactive Polyazo Dyes DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-02-28 — — US disclosed
EP-0038453-B1 PROCESS FOR THE PREPARATION OF WATER SOLUBLE PHTHALOCYANINE DYESTUFFS BAYER AG (DE) 1983-05-25 — — EP disclosed
EP-0038453-A2 Process for the preparation of water soluble phthalocyanine dyestuffs BAYER AG (DE) 1981-10-28 — — EP disclosed
US-4268267-A PRINTING AND DYEING TEXTILES BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 — — 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 (1 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-20080119643-A1 4,4'-Diazobenzanilide Dyestuffs CYP4B1, TYR, DDT PTGS1 2903/4885ULK1 3193/4885HDAC3 872/4885

“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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