SCHEMBL5162065

SCHEMBL5162065

Nc1ccc(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 1/20 0.56
KCNJ3 P48549 1/20 0.56
PTGS1 P23219 6/20 0.54
RORC P51449 3/20 0.48
EPHX2 P34913 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PPARA Q07869 1/20 0.47
NLRP3 Q96P20 1/20 0.46
MTOR P42345 1/20 0.46
KIF11 P52732 1/20 0.46
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
MCHR1 Q99705 1/20 0.44
ANO1 Q5XXA6 1/20 0.44

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
SCHEMBL5163528 0.86 MAPT (0.56) PTGS1L3MBTL1MEN1MAPTKMT2A
SCHEMBL5161551 0.85 GAA (0.55) RORCMEN1MAPTKMT2A
SCHEMBL5164480 0.83 CYP1A1 (0.45) RORCNLRP3MEN1MAPTKMT2A
SCHEMBL5163733 0.82 KMT2A (0.53) L3MBTL1NLRP3MEN1MAPTKMT2A
SCHEMBL5163718 0.82 JAK2 (0.49) MAPTANO1
SCHEMBL5161594 0.82 KMT2A (0.55) MEN1MAPTKMT2A
SCHEMBL5164381 0.82 POLB (0.53) EPHX2NLRP3MEN1MAPTKMT2A
SCHEMBL5162952 0.81 CYP1A2 (0.54) KCNJ5KCNJ3EPHX2L3MBTL1MEN1
SCHEMBL5162110 0.81 GAA (0.43) RORCEPHX2MEN1MAPTKMT2A
Ammonia Solution, Strong SCHEMBL5309981 0.80 CYP1A2 (0.53) KCNJ5KCNJ3EPHX2L3MBTL1MEN1

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 3913/4885PTGS1 979/4885

“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.