SCHEMBL5164104

SCHEMBL5164104

Nc1ccc(CC(=O)Nc2cccc(Cl)c2)c(N)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 1/20 0.63
KCNJ3 P48549 1/20 0.63
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 4/20 0.56
ALDH1A1 P00352 3/20 0.56
HSD17B10 Q99714 1/20 0.56
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
FADS1 O60427 2/20 0.50
EPHX2 P34913 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC1 Q13547 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GRM4 Q14833 1/20 0.46
HPGD P15428 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
NLRP3 Q96P20 1/20 0.46

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
SCHEMBL5165386 0.85 NLRP3 (0.53) MEN1KMT2AALDH1A1HDAC1NLRP3
SCHEMBL5161594 0.85 KMT2A (0.55) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL5162952 0.84 CYP1A2 (0.54) KCNJ5KCNJ3MEN1KMT2AMAPT
SCHEMBL5161133 0.84 GAA (0.55) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL5159839 0.84 KMT2A (0.59) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL5159501 0.84 HPGD (0.54) MEN1KMT2AALDH1A1HSD17B10NPC1
Ammonia Solution, Strong SCHEMBL5303098 0.84 NLRP3 (0.52) MEN1KMT2AALDH1A1HDAC1NLRP3
Ammonia Solution, Strong SCHEMBL5309981 0.83 CYP1A2 (0.53) KCNJ5KCNJ3MEN1KMT2AMAPT
SCHEMBL5163528 0.81 MAPT (0.56) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL5164017 0.81 LMNA (0.61) MEN1KMT2AMAPTALDH1A1HSD17B10

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 KCNJ5 3931/4885KCNJ3 3913/4885MEN1 4559/4885

“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.