SCHEMBL12673181

SCHEMBL12673181

O=C(Nc1nccs1)c1cccc2[nH]c(-c3cccc(OC(F)(F)F)c3)nc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.59
PARP1 P09874 2/20 0.47
RAB9A P51151 3/20 0.44
PKN2 Q16513 3/20 0.44
DYRK3 O43781 1/20 0.44
MAP4K4 O95819 1/20 0.44
PIM1 P11309 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CSNK2A1 P68400 1/20 0.44
PIM3 Q86V86 1/20 0.44
BRSK1 Q8TDC3 1/20 0.44
AURKB Q96GD4 1/20 0.44
HIPK2 Q9H2X6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
STK17A Q9UEE5 1/20 0.44
MAP4K5 Q9Y4K4 1/20 0.44
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL12673370 0.87 DHODH (0.65) DHODHPARP1RAB9APKN2DYRK3
SCHEMBL12673116 0.86 PARP1 (0.62) PARP1RAB9APKN2NPC1LMNA
SCHEMBL12673182 0.85 DHODH (0.55) DHODHRAB9APKN2NPC1LMNA
SCHEMBL12673185 0.84 CYP1A2 (0.53) DHODHPARP1RAB9APKN2NPC1
SCHEMBL12673089 0.84 CYP1A2 (0.57) DHODHPARP1RAB9APKN2NPC1
SCHEMBL12673391 0.83 DHODH (0.46) DHODHPARP1RAB9APKN2DYRK3
SCHEMBL12673242 0.83 SIRT2 (0.60) DHODHRAB9APKN2NPC1LMNA
SCHEMBL12673368 0.83 PARP1 (0.60) PARP1RAB9APKN2NPC1LMNA
SCHEMBL12673323 0.83 ALOX15 (0.48) DHODHPARP1RAB9ANPC1HPGD
SCHEMBL1889058 0.83 PKN2 (0.45) DHODHPARP1RAB9APKN2DYRK3

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-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 DHODH 1336/4885PARP1 287/4885RAB9A 1249/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 DHODH 1291/4885PARP1 331/4885RAB9A 1407/4885

“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.