SCHEMBL5162952

SCHEMBL5162952

Nc1ccc(CC(=O)Nc2ccccc2)c(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
EPHX2 P34913 1/20 0.53
HDAC3 O15379 3/20 0.52
HDAC4 P56524 3/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC10 Q969S8 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC9 Q9UKV0 3/20 0.52
HDAC5 Q9UQL6 3/20 0.52
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 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
Ammonia Solution, Strong SCHEMBL5309981 0.98 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C9CYP2C19EPHX2
SCHEMBL5164480 0.86 CYP1A1 (0.45) HDAC4MEN1KMT2AMAPT
SCHEMBL5165386 0.85 NLRP3 (0.53) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5163718 0.85 JAK2 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5161594 0.85 KMT2A (0.55) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5163733 0.85 KMT2A (0.53) HDAC1LMNAL3MBTL1MEN1KMT2A
SCHEMBL5164381 0.85 POLB (0.53) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5161551 0.85 GAA (0.55) HDAC3HDAC1HDAC2HDAC6MEN1
Ammonia Solution, Strong SCHEMBL5303098 0.84 NLRP3 (0.52) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5159501 0.84 HPGD (0.54) CYP1A2CYP2C19HDAC3HDAC4HDAC1

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-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US claimed
WO-2007026312-A1 1,3-DIAMINOBENZENE DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO claimed
EP-1760072-A1 1,3-diaminobenzene derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-07 EP claimed
US-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US disclosed
WO-2007026312-A1 1,3-DIAMINOBENZENE DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO disclosed
EP-1760072-A1 1,3-diaminobenzene derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-07 EP 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-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds KRT18, DSP, DSG1 CYP1A2 660/4885CYP2D6 182/4885CYP2C9 843/4885

“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.