SCHEMBL12673384

SCHEMBL12673384

O=C(Nc1cccnn1)c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.63
▸ PKN1 Q16512 2/20 0.45
▸ PKN2 Q16513 2/20 0.45
▸ KMT2A Q03164 1/20 0.43
▸ PIN1 Q13526 1/20 0.43
▸ DHODH Q02127 5/20 0.42
▸ SIRT2 Q8IXJ6 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
SCHEMBL12673307 0.87 PARP1 (0.64) PARP1PKN1PKN2PIN1DHODH
SCHEMBL12673251 0.86 PARP1 (0.62) PARP1PKN1PKN2KMT2APIN1
SCHEMBL12673092 0.84 PARP1 (0.66) PARP1PKN1PKN2PIN1DHODH
SCHEMBL12673126 0.84 PARP1 (0.68) PARP1PKN1PKN2PIN1DHODH
SCHEMBL12673102 0.84 PARP1 (0.62) PARP1PKN1PKN2PIN1
SCHEMBL12673305 0.84 PARP1 (0.62) PARP1PKN1PKN2PIN1DHODH
SCHEMBL12673377 0.83 PARP1 (0.67) PARP1PKN1PKN2
SCHEMBL12673186 0.83 PARP1 (0.63) PARP1PKN1PKN2KMT2ADHODH
SCHEMBL12673103 0.82 PARP1 (0.62) PARP1PKN1PKN2PIN1DHODH
SCHEMBL12673247 0.82 PARP1 (0.62) PARP1PKN1PKN2KMT2APIN1

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 287/4885PKN1 1869/4885PKN2 2053/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 331/4885PKN1 2208/4885PKN2 2566/4885

“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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