SCHEMBL12673247

SCHEMBL12673247

Cc1cc(NC(=O)c2cccc3[nH]c(-c4cccc(C(F)(F)F)c4)nc23)no1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.62
▸ MAPK1 P28482 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 3/20 0.47
▸ TSHR P16473 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PIN1 Q13526 1/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ PKN1 Q16512 1/20 0.44

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
SCHEMBL12673094 0.85 PARP1 (0.60) PARP1LMNAPIN1PKN1PKN2
SCHEMBL12673103 0.85 PARP1 (0.62) PARP1PIN1PKN1PKN2
SCHEMBL12673092 0.83 PARP1 (0.66) PARP1PIN1PKN1PKN2
SCHEMBL12662089 0.83 PARP1 (0.60) PARP1MAPK1MEN1KMT2AMAPT
SCHEMBL12673307 0.83 PARP1 (0.64) PARP1MAPTPIN1PKN1PKN2
SCHEMBL12673384 0.82 PARP1 (0.63) PARP1KMT2APIN1PKN1PKN2
SCHEMBL12673126 0.81 PARP1 (0.68) PARP1PIN1PKN1PKN2
SCHEMBL12673102 0.81 PARP1 (0.62) PARP1PIN1PKN1PKN2
SCHEMBL12673251 0.81 PARP1 (0.62) PARP1MEN1KMT2ATSHRHSD17B10
SCHEMBL12673305 0.81 PARP1 (0.62) PARP1TSHRHSD17B10NPSR1PIN1

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 287/4885MAPK1 1915/4885MEN1 4039/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 331/4885MAPK1 2516/4885MEN1 3749/4885

“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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