SCHEMBL1888653

SCHEMBL1888653

COC(=O)c1cccc2[nH]c(-c3ccc(CN4CCCC4)cc3C(F)(F)F)nc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.53
DHODH Q02127 5/20 0.47
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
AURKB Q96GD4 2/20 0.44
KDR P35968 1/20 0.44
RIPK1 Q13546 2/20 0.43
KDM4E B2RXH2 1/20 0.40
PIM1 P11309 1/20 0.40
FLT3 P36888 1/20 0.40
PIM3 Q86V86 1/20 0.40
BRSK1 Q8TDC3 1/20 0.40
MKNK2 Q9HBH9 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
SCHEMBL1891309 0.89 PARP1 (0.56) PARP1DHODHAURKBKDRKDM4E
SCHEMBL1889901 0.86 PARP1 (0.53) PARP1DHODH
SCHEMBL1891653 0.85 PARP1 (0.49) PARP1DHODH
SCHEMBL1895926 0.83 PARP1 (0.48) PARP1DHODHAURKBKDRPIM1
SCHEMBL1900236 0.81 PARP1 (0.47) PARP1DHODHAURKBKDR
SCHEMBL12662100 0.81 PARP1 (0.51) PARP1DHODH
SCHEMBL1888077 0.81 PARP1 (0.55) PARP1DHODHPKN1PKN2KDR
SCHEMBL12662662 0.81 PARP1 (0.51) PARP1DHODH
SCHEMBL1893371 0.80 PARP1 (0.51) PARP1DHODH
SCHEMBL1893923 0.79 PARP1 (0.53) PARP1DHODHAURKBKDR

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-8846947-B2 Benzimidazoles and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2014-09-30 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 287/4885DHODH 1336/4885PKN1 1869/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 331/4885DHODH 1291/4885PKN1 2208/4885

“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.