SCHEMBL12662004

SCHEMBL12662004

O=C(Nc1cccc2[nH]c(-c3ccc(Cl)cc3C(F)(F)F)nc12)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.46
▸ GRM4 Q14833 4/20 0.46
▸ TRPV1 Q8NER1 2/20 0.45
▸ STK33 Q9BYT3 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GRM5 P41594 2/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ PRKCG P05129 1/20 0.41
▸ PRKCB P05771 1/20 0.41
▸ IL1R1 P14778 1/20 0.41
▸ PRKCA P17252 1/20 0.41
▸ TNFRSF1A P19438 1/20 0.41
▸ PRKCH P24723 1/20 0.41
▸ PRKCI P41743 1/20 0.41
▸ PRKCE Q02156 1/20 0.41

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
SCHEMBL12661879 0.90 PARP1 (0.57) PARP1GRM4TRPV1STK33HDAC6
SCHEMBL12662006 0.90 SMN1; SMN2 (0.45) PARP1TRPV1KDRHDAC6MEN1
SCHEMBL12662003 0.88 TRPV1 (0.43) PARP1TRPV1STK33KDRHDAC6
SCHEMBL12661934 0.86 PARP1 (0.45) PARP1GRM4TRPV1STK33GRM5
SCHEMBL12662009 0.84 CLK2 (0.51) TRPV1STK33KDM4EMEN1KMT2A
SCHEMBL12673356 0.83 PARP1 (0.52) PARP1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL12661885 0.81 PARP1 (0.53) PARP1TRPV1HDAC6MEN1KMT2A
SCHEMBL12673259 0.80 PARP1 (0.57) PARP1STK33KDM4EMEN1KMT2A
SCHEMBL12662027 0.79 HPGD (0.52) PARP1KDM4EKMT2A
SCHEMBL12661880 0.79 PARP1 (0.53) PARP1TRPV1STK33HDAC6KDM4E

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 PARP1 287/4885GRM4 4065/4885TRPV1 2940/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 331/4885GRM4 4008/4885TRPV1 2501/4885

“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.

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