SCHEMBL12662467

SCHEMBL12662467

O=C(Nc1ccc(CN2CCCC2)nc1)c1cccc2[nH]c(-c3ccc(Cl)cc3C(F)(F)F)nc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.42
FGFR3 P22607 2/20 0.42
PTGES O14684 5/20 0.42
DHODH Q02127 1/20 0.40
LMNA P02545 1/20 0.39
MLLT1 Q03111 1/20 0.39
CHRNA7 P36544 1/20 0.38
KCNH2 Q12809 1/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
MAPK7 Q13164 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
SCHEMBL12662466 0.93 FGFR3 (0.50) PARP1FGFR3PTGESHIF1AEPAS1
SCHEMBL12662465 0.91 PARP1 (0.52) PARP1PTGESDHODHHIF1AEPAS1
SCHEMBL12662100 0.90 PARP1 (0.51) PARP1PTGESDHODHLMNA
SCHEMBL12662469 0.89 PARP1 (0.42) PARP1FGFR3PTGESDHODHCHRNA7
SCHEMBL12662363 0.87 PARP1 (0.44) PARP1PTGESDHODH
SCHEMBL1893371 0.87 PARP1 (0.51) PARP1PTGESDHODH
SCHEMBL1889901 0.85 PARP1 (0.53) PARP1PTGESDHODH
SCHEMBL12662190 0.85 F10 (0.51) PARP1FGFR3DHODH
SCHEMBL12662527 0.85 PARP1 (0.51) PARP1FGFR3PTGESHIF1AEPAS1
SCHEMBL12662662 0.84 PARP1 (0.51) PARP1PTGESDHODH

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 287/4885FGFR3 2501/4885PTGES 1022/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 331/4885FGFR3 2484/4885PTGES 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.