SCHEMBL12673138

SCHEMBL12673138

O=C(Nc1nccs1)c1cccc2[nH]c(-c3ccnc(N4CCOCC4)c3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
PARP1 P09874 4/20 0.45
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
TRPV4 Q9HBA0 1/20 0.42
PKN1 Q16512 2/20 0.42
PKN2 Q16513 2/20 0.42
PLK4 O00444 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
PRKCG P05129 1/20 0.42
CSF1R P07333 1/20 0.42
PIM1 P11309 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL12662045 0.92 KDM4E (0.45) LMNAKDM4EPARP1ALDH1A1RAB9A
SCHEMBL12673133 0.91 LMNA (0.43) LMNAKDM4EPARP1ALDH1A1RAB9A
SCHEMBL12673371 0.89 LMNA (0.51) LMNAKDM4EPARP1ALDH1A1RAB9A
SCHEMBL1898119 0.88 LMNA (0.53) LMNAKDM4EPARP1ALDH1A1RAB9A
SCHEMBL12673090 0.88 LMNA (0.51) LMNAKDM4EPARP1ALDH1A1RAB9A
SCHEMBL12673136 0.83 LMNA (0.52) LMNAKDM4EALDH1A1RAB9ANPC1
SCHEMBL1035051 0.83 LMNA (0.56) LMNAKDM4EALDH1A1RAB9ANPC1
SCHEMBL1889605 0.82 LMNA (0.49) LMNAKDM4EPARP1ALDH1A1RAB9A
SCHEMBL12661993 0.82 LMNA (0.47) LMNAKDM4EPARP1ALDH1A1RAB9A
SCHEMBL12673129 0.81 NPC1 (0.49) LMNAPARP1ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 EP disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 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 (2 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-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 LMNA 2839/4885KDM4E 1352/4885PARP1 287/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 LMNA 3201/4885KDM4E 1268/4885PARP1 331/4885

“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.