SCHEMBL5164017

SCHEMBL5164017

N#Cc1cccc(NC(=O)Cc2ccc(N)cc2N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
ALDH1A1 P00352 5/20 0.55
DUSP3 P51452 1/20 0.55
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TSHR P16473 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
ANO1 Q5XXA6 1/20 0.47
IDO1 P14902 1/20 0.46
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MCHR1 Q99705 1/20 0.45

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
SCHEMBL5161966 0.86 IDO1 (0.48) LMNAALDH1A1KMT2AMAPK1TSHR
SCHEMBL5165386 0.82 NLRP3 (0.53) ALDH1A1KMT2AMEN1
SCHEMBL5162228 0.81 LMNA (0.60) LMNAALDH1A1DUSP3KMT2ASMN1; SMN2
SCHEMBL5162952 0.81 CYP1A2 (0.54) LMNAKMT2ASMN1; SMN2L3MBTL1MAPT
Ammonia Solution, Strong SCHEMBL5303098 0.81 NLRP3 (0.52) ALDH1A1KMT2AMEN1
SCHEMBL5159501 0.81 HPGD (0.54) ALDH1A1KMT2ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL5164104 0.81 KCNJ5 (0.63) LMNAALDH1A1KMT2AL3MBTL1HSD17B10
SCHEMBL5159839 0.81 KMT2A (0.59) ALDH1A1KMT2ASMN1; SMN2TSHRMAPT
SCHEMBL5161133 0.81 GAA (0.55) ALDH1A1KMT2ASMN1; SMN2L3MBTL1MAPT
Ammonia Solution, Strong SCHEMBL5309981 0.80 CYP1A2 (0.53) LMNAKMT2AL3MBTL1MAPTMEN1

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 LMNA 2461/4885ALDH1A1 12/4885DUSP3 509/4885

“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.