SCHEMBL5163734

SCHEMBL5163734

Nc1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2)c(N)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.62
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
POLB P06746 4/20 0.56
MAPT P10636 3/20 0.56
DDX3X O00571 1/20 0.56
HTT P42858 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 1/20 0.55
BLM P54132 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
HDAC1 Q13547 2/20 0.51
CHIT1 Q13231 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
SCHEMBL5162038 0.87 MEN1 (0.53) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5162086 0.82 ALDH1A1 (0.61) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5165386 0.82 NLRP3 (0.53) ALDH1A1MEN1KMT2ADDX3XCYP1A2
SCHEMBL5162952 0.81 CYP1A2 (0.54) SMN1; SMN2MEN1KMT2AMAPTL3MBTL1
SCHEMBL13623020 0.81 ALDH1A1 (0.74) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
Ammonia Solution, Strong SCHEMBL5303098 0.81 NLRP3 (0.52) ALDH1A1MEN1KMT2ADDX3XCYP1A2
SCHEMBL5159839 0.81 KMT2A (0.59) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5161133 0.81 GAA (0.55) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5159501 0.81 HPGD (0.54) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5164104 0.81 KCNJ5 (0.63) RAB9AALDH1A1MEN1KMT2AMAPT

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 RAB9A 4739/4885ALDH1A1 12/4885SMN1; SMN2 4468/4885

“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.