SCHEMBL5163543

SCHEMBL5163543

CC(C)NC(=O)Cc1ccc(N)cc1N

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
VHL P40337 1/20 0.41
ALDH1A1 P00352 3/20 0.38
CNR2 P34972 1/20 0.38
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PTGS2 P35354 1/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL5164405 0.81 GAA (0.38) ALOX5ALDH1A1LMNAMEN1KMT2A
SCHEMBL5162073 0.80 EPHX2 (0.39) ALOX5ALDH1A1EPHX2NR1H4KDM4E
SCHEMBL5162095 0.79 EPHX2 (0.39) ALDH1A1MEN1KMT2ARXFP1EPHX2
SCHEMBL5162590 0.76 L3MBTL1 (0.42) ALDH1A1LMNAL3MBTL1SMN1; SMN2EPHX2
SCHEMBL5162258 0.76 MEN1 (0.45) ALOX5VHLALDH1A1LMNAL3MBTL1
SCHEMBL1632737 0.76 CNR2 (0.57) ALOX5ALDH1A1CNR2MEN1KMT2A
SCHEMBL5164397 0.75 CTSL (0.38) ALDH1A1EPHX2NR1H4KDM4EHPGD
Ammonia Solution, Strong SCHEMBL5307556 0.75 L3MBTL1 (0.41) ALDH1A1LMNAL3MBTL1SMN1; SMN2EPHX2
SCHEMBL5165363 0.75 MEN1 (0.51) ALDH1A1LMNAMEN1KMT2ARXFP1
SCHEMBL2129842 0.75 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2AKDM4E

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 ALOX5 2534/4885VHL 2450/4885ALDH1A1 12/4885

“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.