SCHEMBL4904633

SCHEMBL4904633

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.58
HDAC3 O15379 1/20 0.58
BRAF P15056 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
PTGS1 P23219 4/20 0.57
ULK1 O75385 1/20 0.54
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
PKM P14618 3/20 0.51
THRB P10828 2/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL10346126 0.88 KMT2A (0.65) HDAC1HDAC3BRAFHDAC4HDAC7
SCHEMBL28308170 0.86 KMT2A (0.51) HDAC1HDAC3BRAFHDAC4HDAC7
SCHEMBL1953859 0.84 KMT2A (0.64) HDAC1HDAC3BRAFHDAC4HDAC7
SCHEMBL2127722 0.83 PTGS1 (0.77) HDAC1HDAC3BRAFHDAC4HDAC7
SCHEMBL6866138 0.82 KMT2A (0.78) HDAC1HDAC3BRAFHDAC4HDAC7
SCHEMBL13381189 0.82 MEN1 (0.67) PTGS1ULK1KMT2AMEN1PKM
SCHEMBL11593046 0.82 PTGS1 (0.75) HDAC1HDAC2HDAC8HDAC6PTGS1
SCHEMBL308208 0.81 PTGS1 (0.72) HDAC1HDAC2HDAC8HDAC6PTGS1
SCHEMBL2126328 0.81 PTGS1 (0.68) PTGS1ULK1KMT2AMEN1POLB
SCHEMBL31171978 0.81 PTGS1 (0.72) HDAC1HDAC2HDAC8HDAC6PTGS1

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 10 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

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 HDAC1 1868/4885HDAC3 872/4885BRAF 1116/4885

“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.