SCHEMBL12662003

SCHEMBL12662003

O=C(Nc1cccc2[nH]c(-c3ccc(Cl)cc3C(F)(F)F)nc12)c1cscn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.43
▸ PARP1 P09874 2/20 0.42
▸ PIM1 P11309 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.39
▸ CYP2D6 P10635 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ GRM1 Q13255 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ STK33 Q9BYT3 1/20 0.36
▸ CYP2C8 P10632 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MEN1 O00255 1/20 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
SCHEMBL12661880 0.90 PARP1 (0.53) TRPV1PARP1PIM1SIRT1RAB9A
SCHEMBL12662004 0.88 PARP1 (0.46) TRPV1PARP1KDM4EKDRHDAC6
SCHEMBL12661931 0.86 PARP1 (0.41) TRPV1PARP1PIM1SIRT1CYP2D6
SCHEMBL12662006 0.85 SMN1; SMN2 (0.45) TRPV1PARP1KDRHDAC3HDAC6
SCHEMBL1895860 0.81 PARP1 (0.54) PARP1CYP2D6CYP1A2RAB9AKDM4E
SCHEMBL12662009 0.80 CLK2 (0.51) TRPV1PIM1KDM4ESTK33MEN1
SCHEMBL12661879 0.78 PARP1 (0.57) TRPV1PARP1SIRT1RAB9AHDAC3
SCHEMBL12661885 0.75 PARP1 (0.53) TRPV1PARP1SIRT1CYP2C19RAB9A
SCHEMBL12662557 0.74 PARP1 (0.55) PARP1KDM4E
SCHEMBL12661934 0.74 PARP1 (0.45) TRPV1PARP1SIRT1RAB9ASTK33

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 6 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-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
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 — — US disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 — — 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 (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 TRPV1 2940/4885PARP1 287/4885PIM1 2069/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 TRPV1 2501/4885PARP1 331/4885PIM1 1811/4885

“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.

Send feedback