SCHEMBL15328253

SCHEMBL15328253

COc1cc(Br)cc(F)c1C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
PPARA Q07869 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
AKR1B1 P15121 1/20 0.45

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
SCHEMBL15328649 0.87 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL15328275 0.80 KCNQ3 (0.57) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL15328348 0.78 LMNA (0.48) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL31740895 0.77 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL23162263 0.76 PTGS2 (0.44) ALDH1A1MAPTTDP1
SCHEMBL15328921 0.76 MEN1 (0.54) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL11297673 0.76 KDM4E (0.52) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL23042429 0.74 PPARA (0.64) KMT2AALDH1A1HPGDPPARA
SCHEMBL21196399 0.73 LMNA (0.54) HPGDKDM4EROCK2ROCK1
SCHEMBL23657593 0.73 LMNA (0.72) ALDH1A1HPGDPPARA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108936-B2 Substituted 4-aminobenzamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-08-18 US disclosed
EP-2844645-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2015-03-11 EP disclosed
WO-2013156155-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-10-24 WO disclosed
US-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2013-10-24 US 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-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS KCNJ2, KCNQ2, KCNQ1 KMT2A 196/4885MEN1 4108/4885ALDH1A1 3041/4885

“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.