SCHEMBL13551111

SCHEMBL13551111

C[C@@H]1CN(c2ccc(-c3nc4c(C(=O)Nc5ccccn5)cccc4[nH]3)c(C(F)(F)F)c2)C[C@H](C)O1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.43
PARP1 P09874 2/20 0.43
FGFR1 P11362 1/20 0.40
AR P10275 1/20 0.39
WDR5 P61964 3/20 0.38
LRRK2 Q5S007 2/20 0.37
KDR P35968 1/20 0.37
PTGES O14684 5/20 0.36
FGFR3 P22607 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
CLK2 P49760 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL12662435 0.94 SCN9A (0.43) SCN9APARP1FGFR1ARWDR5
SCHEMBL12662261 0.92 PARP1 (0.43) PARP1FGFR1ARKDRPTGES
SCHEMBL12662336 0.88 PARP1 (0.47) PARP1KDRPTGESTRPV1
SCHEMBL12662343 0.87 PARP1 (0.43) PARP1ARPTGESTRPV1CLK2
SCHEMBL12662340 0.87 PARP1 (0.43) PARP1ARPTGESTRPV1CLK2
SCHEMBL12662001 0.87 PARP1 (0.44) SCN9APARP1PTGES
SCHEMBL12662333 0.87 PARP1 (0.40) SCN9APARP1WDR5LRRK2KDR
SCHEMBL12662335 0.86 PTGES (0.44) SCN9APARP1ARLRRK2KDR
SCHEMBL12662497 0.85 PARP1 (0.41) PARP1WDR5KDRPTGES
SCHEMBL12662270 0.85 LRRK2 (0.42) SCN9APARP1FGFR1LRRK2DHODH

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-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 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 (1 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-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 SCN9A 3676/4885PARP1 331/4885FGFR1 914/4885

“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.