SCHEMBL5163733

SCHEMBL5163733

Nc1ccc(CC(=O)Nc2ccc(Br)cc2)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.45
FPR1 P21462 1/20 0.44
FPR2 P25090 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NLRP3 Q96P20 1/20 0.43
MAPT P10636 1/20 0.42
HDAC1 Q13547 2/20 0.41
ALOX12 P18054 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL5164480 0.87 CYP1A1 (0.45) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL5161594 0.85 KMT2A (0.55) KMT2AMEN1HTTLMNASMN1; SMN2
SCHEMBL5161551 0.85 GAA (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL5164381 0.85 POLB (0.53) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL5162952 0.85 CYP1A2 (0.54) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL5161133 0.85 GAA (0.55) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL5162110 0.84 GAA (0.43) KMT2AMEN1HTTLMNASMN1; SMN2
Ammonia Solution, Strong SCHEMBL5309981 0.84 CYP1A2 (0.53) KMT2AMEN1LMNAMAPTHDAC1
SCHEMBL5163718 0.82 JAK2 (0.49) HTTLMNASMN1; SMN2ALDH1A1CA1
SCHEMBL5162960 0.82 ALDH1A1 (0.55) KMT2AMEN1HTTLMNASMN1; SMN2

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 4559/4885HTT 4516/4885

“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.