SCHEMBL12662011

SCHEMBL12662011

O=C(NC1CCOCC1)c1cccc2[nH]c(-c3ccccc3C(F)(F)F)nc12

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.61
SMN1; SMN2 Q16637 1/20 0.50
PTGES O14684 7/20 0.47
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
RET P07949 1/20 0.43
PARP2 Q9UGN5 1/20 0.42
HDAC8 Q9BY41 1/20 0.40
HDAC4 P56524 1/20 0.40

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
SCHEMBL12662024 0.89 PARP1 (0.62) PARP1SMN1; SMN2PTGESHDAC6HDAC3
SCHEMBL12662032 0.89 PARP1 (0.48) PARP1SMN1; SMN2PTGESRETPARP2
SCHEMBL12662031 0.89 PARP1 (0.48) PARP1SMN1; SMN2PTGESRETPARP2
SCHEMBL12662030 0.89 PARP1 (0.48) PARP1SMN1; SMN2PTGESRETPARP2
SCHEMBL12661866 0.84 PARP1 (0.58) PARP1SMN1; SMN2PTGESHDAC6HDAC3
SCHEMBL12673191 0.82 PARP1 (0.62) PARP1RETPARP2
SCHEMBL12662750 0.80 PARP1 (0.39) PARP1SMN1; SMN2PTGESRETPARP2
SCHEMBL12662033 0.79 PARP1 (0.51) PARP1SMN1; SMN2PTGESRETPARP2
SCHEMBL12662055 0.79 PARP1 (0.51) PARP1SMN1; SMN2PTGESRETPARP2
SCHEMBL12662054 0.79 PARP1 (0.51) PARP1SMN1; SMN2PTGESRETPARP2

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 6 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
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 2090/4885PTGES 1022/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 331/4885SMN1; SMN2 2143/4885PTGES 1594/4885

“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.