SCHEMBL15328672

SCHEMBL15328672

Cc1cc(N2CCOCC2)cc(N2CC[C@@H](F)C2)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HPGD P15428 3/20 0.45
KHK P50053 1/20 0.45
KDM4E B2RXH2 6/20 0.39
HSD17B10 Q99714 3/20 0.39
CSF1R P07333 2/20 0.36
LGMN Q99538 2/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
PSMD14 O00487 1/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
NSD2 O96028 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 2/20 0.35

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
SCHEMBL15328448 0.76 LGMN (0.43) ALDH1A1HPGDKDM4EHSD17B10LGMN
SCHEMBL15328455 0.76 ALDH1A1 (0.54) ALDH1A1HPGDKHKKDM4EHSD17B10
SCHEMBL15328499 0.71 ALDH1A1 (0.51) ALDH1A1HPGDKHKKDM4EHSD17B10
SCHEMBL15328697 0.68 ALDH1A1 (0.48) ALDH1A1HPGDKHKKDM4EHSD17B10
SCHEMBL5105409 0.68 KDM4E (0.55) ALDH1A1HPGDKHKKDM4EHSD17B10
SCHEMBL15328696 0.68 ALDH1A1 (0.47) ALDH1A1HPGDKHKKDM4EHSD17B10
SCHEMBL15328411 0.67 ALDH1A1 (0.46) ALDH1A1HPGDKHKKDM4EHSD17B10
SCHEMBL21413772 0.65 FFAR4 (0.41) ALDH1A1HPGDKDM4ETSHRSMN1; SMN2
SCHEMBL14379370 0.65 KDM4E (0.58) ALDH1A1HPGDKDM4EHSD17B10LGMN
SCHEMBL24089640 0.65 MAPK1 (0.54) ALDH1A1HPGDKHKKDM4EHSD17B10

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.