SCHEMBL5162173

SCHEMBL5162173

Nc1ccc(CC(=O)Nc2ccccc2Cl)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
HPGD P15428 4/20 0.49
ALDH1A1 P00352 4/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
KCNQ2 O43526 1/20 0.48
HTT P42858 1/20 0.48
HDAC1 Q13547 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.46
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL5159609 0.84 MAPT (0.53) KMT2AMEN1HPGDALDH1A1CA1
SCHEMBL5164404 0.83 RAB9A (0.49) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL5163509 0.83 KMT2A (0.52) KMT2AMEN1HPGDALDH1A1CA1
SCHEMBL5163562 0.83 HPGD (0.56) HPGDALDH1A1HDAC1NPC1RAB9A
SCHEMBL5161574 0.80 KCNQ2 (0.54) HPGDALDH1A1CA1CA2CA12
SCHEMBL5161573 0.80 POLB (0.51) KMT2AMEN1HPGDALDH1A1HTT
SCHEMBL5164374 0.80 GAA (0.51) KMT2AMEN1HPGDALDH1A1HDAC1
SCHEMBL5163481 0.80 TSHR (0.56) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL5162952 0.80 CYP1A2 (0.54) KMT2AMEN1HDAC1L3MBTL1CYP1A2
SCHEMBL5162715 0.80 KMT2A (0.50) KMT2AMEN1HPGDALDH1A1CA1

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 KMT2A 2655/4885MEN1 4559/4885HPGD 44/4885

“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.