SCHEMBL12673259

SCHEMBL12673259

O=C(Nc1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.57
▸ TLR7 Q9NYK1 3/20 0.53
▸ BRAF P15056 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.45
▸ PIN1 Q13526 1/20 0.44
▸ MAPK13 O15264 1/20 0.43
▸ RAF1 P04049 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ MAPK12 P53778 1/20 0.43
▸ MAPK11 Q15759 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ PKM P14618 1/20 0.43

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
SCHEMBL12673172 0.89 PARP1 (0.54) PARP1TLR7BRAFPIN1MAPK13
SCHEMBL1895860 0.87 PARP1 (0.54) PARP1TLR7RXFP1PIN1ALDH1A1
SCHEMBL9980760 0.87 TLR7 (0.51) PARP1TLR7BRAFRXFP1PIN1
SCHEMBL12673256 0.83 PARP1 (0.54) PARP1TLR7BRAFRXFP1PIN1
SCHEMBL12673319 0.83 PARP1 (0.61) PARP1RXFP1ALDH1A1KDM4EMEN1
SCHEMBL12673112 0.82 RXFP1 (0.58) PARP1BRAFRXFP1ALDH1A1KDM4E
SCHEMBL12661879 0.82 PARP1 (0.57) PARP1NPC1TSHRRAB9AKMT2A
SCHEMBL1898013 0.81 PARP1 (0.53) PARP1MAPK13RAF1MAPK9MAPK12
SCHEMBL12673307 0.81 PARP1 (0.64) PARP1RXFP1PIN1
SCHEMBL12662004 0.80 PARP1 (0.46) PARP1TLR7KDM4EMEN1KMT2A

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-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
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 287/4885TLR7 4180/4885BRAF 2153/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 331/4885TLR7 4344/4885BRAF 2104/4885

“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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