SCHEMBL5161966

SCHEMBL5161966

N#Cc1ccc(NC(=O)Cc2ccc(N)cc2N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
PAX8 Q06710 1/20 0.44
MLYCD O95822 1/20 0.43
RORC P51449 1/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 3/20 0.42
TSHR P16473 1/20 0.42
NLRP3 Q96P20 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
POLB P06746 2/20 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
SCHEMBL5164017 0.86 LMNA (0.61) IDO1HTTMAPTKMT2AMEN1
SCHEMBL5164480 0.83 CYP1A1 (0.45) RORCMAPTKMT2AMEN1ALDH1A1
SCHEMBL5161551 0.82 GAA (0.55) RORCMAPTKMT2AMEN1ALDH1A1
SCHEMBL5161594 0.82 KMT2A (0.55) HTTMAPTKMT2AMEN1ALDH1A1
SCHEMBL5163733 0.82 KMT2A (0.53) HTTMAPTKMT2AMEN1ALDH1A1
SCHEMBL5164381 0.82 POLB (0.53) HTTNPSR1MAPTKMT2AMEN1
SCHEMBL5162952 0.81 CYP1A2 (0.54) MAPTKMT2AMEN1LMNA
SCHEMBL5162110 0.81 GAA (0.43) HTTRORCMAPTKMT2AMEN1
Ammonia Solution, Strong SCHEMBL5309981 0.80 CYP1A2 (0.53) MAPTKMT2AMEN1LMNA
SCHEMBL5159761 0.80 IDO1 (0.47) IDO1HTTNPSR1SAE1UBA2

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 IDO1 591/4885HTT 4516/4885NPSR1 4547/4885

“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.