SCHEMBL12673104

SCHEMBL12673104

O=C(Nc1ccc(Cl)cn1)c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ DHODH Q02127 1/20 0.46
▸ FGFR4 P22455 2/20 0.45
▸ MAPKAPK2 P49137 1/20 0.45
▸ F10 P00742 2/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ PTGS1 P23219 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 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
SCHEMBL12673251 0.86 PARP1 (0.62) PARP1SMN1; SMN2DHODHNPC1RAB9A
SCHEMBL12673307 0.86 PARP1 (0.64) PARP1DHODH
SCHEMBL12673102 0.84 PARP1 (0.62) PARP1
SCHEMBL12673305 0.84 PARP1 (0.62) PARP1DHODHALOX15TSHRNPSR1
SCHEMBL12673179 0.83 PARP1 (0.61) PARP1SMN1; SMN2DHODHNPC1RAB9A
SCHEMBL12673092 0.83 PARP1 (0.66) PARP1DHODH
SCHEMBL12673126 0.82 PARP1 (0.68) PARP1DHODH
SCHEMBL12673319 0.81 PARP1 (0.61) PARP1SMN1; SMN2DHODHNPC1RAB9A
SCHEMBL1033644 0.81 FGFR4 (0.56) PARP1SMN1; SMN2TDP1FGFR4MAPKAPK2
SCHEMBL12673384 0.81 PARP1 (0.63) PARP1DHODHKMT2A

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 287/4885SMN1; SMN2 2090/4885TDP1 1438/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 331/4885SMN1; SMN2 2143/4885TDP1 1272/4885

“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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