SCHEMBL6167501

SCHEMBL6167501

CCCCNC(=S)N1CCC(c2nc(-c3ccc(-c4ccccc4)cc3)c[nH]2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
P2RY12 Q9H244 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6800699 0.95 KMT2A (0.42) KMT2AGAAALDH1A1HTTMAPT
SCHEMBL6167382 0.88 MEN1 (0.46) KMT2AGAAHTTMEN1POLB
SCHEMBL6164723 0.81 HTR2B (0.43) GAAALDH1A1HTTP2RY12
SCHEMBL6166994 0.78 KDM4E (0.46) ALDH1A1P2RY12KDM4E
SCHEMBL6166320 0.77 KCNH2 (0.47)
SCHEMBL6167825 0.76 ALDH1A1 (0.54) KMT2AGAAALDH1A1HTTMAPT
SCHEMBL23220397 0.76 NPC1 (0.57) KMT2AGAAALDH1A1HTTMAPT
SCHEMBL6168951 0.76 HTR2B (0.51)
SCHEMBL2838119 0.73 NAMPT (0.42) ALDH1A1
SCHEMBL6167911 0.73 L3MBTL1 (0.37) GAAALDH1A1P2RY12KDM4E

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
EP-1349850-B1 SODIUM CHANNEL MODULATORS DERIVED FROM 2-PIPERIDYLIMIDAZOLES SOD CONSEILS RECH APPLIC (FR) 2005-09-07 EP claimed
EP-1349850-A1 SODIUM CHANNEL MODULATORS DERIVED FROM 2-PIPERIDYLIMIDAZOLES Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2003-10-08 EP claimed
WO-2002053559-A1 SODIUM CHANNEL MODULATORS DERIVED FROM 2-PIPERIDYLIMIDAZOLES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-07-11 WO claimed
US-20040077640-A1 Sodium channel modulators derived from 2-piperidylimidazoles SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-04-22 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-20040077640-A1 Sodium channel modulators derived from 2-piperidylimidazoles KCNH1, HCN4, KCNH2 KMT2A 3010/4885GAA 4473/4885ALDH1A1 1443/4885

“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.