SCHEMBL12662052

SCHEMBL12662052

O=C(Nc1cccnn1)c1cccc2[nH]c(-c3ccccc3C(F)(F)F)nc12

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 10/20 0.62
▸ HDAC3 O15379 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ PKN1 Q16512 1/20 0.41
▸ PKN2 Q16513 1/20 0.41
▸ DHODH Q02127 6/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38

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
SCHEMBL12662057 0.89 PARP1 (0.48) PARP1PKN1PKN2DHODH
SCHEMBL12662026 0.89 PARP1 (0.48) PARP1PKN1PKN2DHODHKDM4E
SCHEMBL12662067 0.89 PARP1 (0.48) PARP1PKN1PKN2DHODH
SCHEMBL12662390 0.89 PARP1 (0.50) PARP1HDAC3HDAC7HDAC10HDAC6
SCHEMBL1896561 0.88 PARP1 (0.65) PARP1HDAC3HDAC7HDAC10HDAC6
SCHEMBL13551074 0.83 PARP1 (0.66) PARP1HDAC3HDAC7HDAC10HDAC6
SCHEMBL12673378 0.82 PARP1 (0.62) PARP1HDAC3HDAC7HDAC10HDAC6
SCHEMBL12662213 0.82 PARP1 (0.42) PARP1
SCHEMBL12673384 0.82 PARP1 (0.63) PARP1PKN1PKN2DHODHSIRT2
SCHEMBL12662378 0.81 PTGES (0.44) PARP1HDAC3HDAC7HDAC10HDAC6

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 5 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

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 287/4885HDAC3 13/4885HDAC7 32/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 331/4885HDAC3 11/4885HDAC7 33/4885

“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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