SCHEMBL15328697

SCHEMBL15328697

CCSc1cc(N2CCOCC2)cc(C)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
HPGD P15428 4/20 0.48
KHK P50053 1/20 0.48
KDM4E B2RXH2 10/20 0.46
LMNA P02545 4/20 0.46
HTT P42858 3/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PSMD14 O00487 1/20 0.40
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 3/20 0.39
GAA P10253 1/20 0.39
NPY1R P25929 4/20 0.39
POLB P06746 1/20 0.38
NSD2 O96028 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38

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
SCHEMBL15328560 0.81 PIK3C3 (0.41)
SCHEMBL15328723 0.77 KMT2A (0.42) ALDH1A1HPGDKDM4ELMNAHTT
SCHEMBL15328455 0.76 ALDH1A1 (0.54) ALDH1A1HPGDKHKKDM4ELMNA
SCHEMBL15328696 0.75 ALDH1A1 (0.47) ALDH1A1HPGDKHKKDM4ELMNA
SCHEMBL15328411 0.74 ALDH1A1 (0.46) ALDH1A1HPGDKHKKDM4ELMNA
SCHEMBL15328499 0.74 ALDH1A1 (0.51) ALDH1A1HPGDKHKKDM4ELMNA
SCHEMBL15328692 0.69 KDM4E (0.40) ALDH1A1HPGDKDM4ELMNATSHR
SCHEMBL15328401 0.69 ALDH1A1 (0.38) ALDH1A1HTTTSHRMEN1KMT2A
SCHEMBL15328672 0.68 ALDH1A1 (0.45) ALDH1A1HPGDKHKKDM4ELMNA
SCHEMBL14379370 0.68 KDM4E (0.58) ALDH1A1HPGDKDM4ELMNAHTT

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
US-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2013-10-24 US disclosed
WO-2013156155-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-10-24 WO 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 ALDH1A1 3041/4885HPGD 2206/4885KHK 1294/4885

“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.