SCHEMBL1767403

SCHEMBL1767403

O=C(NCc1ccccc1)c1cc(O)nc(NC(=O)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.52
RPS6KA5 O75582 1/20 0.52
MAP4K4 O95819 1/20 0.52
PRKCG P05129 1/20 0.52
PRKACA P17612 1/20 0.52
RPS6KB1 P23443 1/20 0.52
MAPK1 P28482 1/20 0.52
AKT1 P31749 1/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
PRKX P51817 1/20 0.52
PRKCD Q05655 1/20 0.52
PRKG2 Q13237 1/20 0.52
ROCK1 Q13464 1/20 0.52
DYRK1A Q13627 1/20 0.52
PRKG1 Q13976 1/20 0.52
PKN2 Q16513 1/20 0.52
CDC42BPA Q5VT25 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
SGK2 Q9HBY8 1/20 0.52

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
SCHEMBL27813617 0.84 MAPT (0.50) ROCK2RPS6KA5MAP4K4PRKCGPRKACA
SCHEMBL1767459 0.83 SCD (0.52) ROCK2ROCK1HDAC6HDAC2HDAC8
SCHEMBL1767513 0.80 HTT (0.61) ROCK2RPS6KA5MAP4K4PRKCGPRKACA
SCHEMBL457082 0.78 HDAC6 (0.79) ROCK2RPS6KA5MAP4K4PRKCGPRKACA
SCHEMBL20804372 0.77 KMT2A (0.60) MAPK1BCL2MCL1HDAC6HDAC2
Hydrochloric Acid SCHEMBL3757721 0.76 HDAC6 (0.76) ROCK2RPS6KA5MAP4K4PRKCGPRKACA
SCHEMBL29184442 0.76 HDAC6 (0.76) ROCK2RPS6KA5MAP4K4PRKCGPRKACA
SCHEMBL2915318 0.76 HDAC6 (0.74) ROCK2RPS6KA5MAP4K4PRKCGPRKACA
SCHEMBL11900090 0.74 HDAC6 (0.85) ROCK2RPS6KA5MAP4K4PRKCGPRKACA
SCHEMBL22047184 0.74 PPARG (0.78) HDAC6HDAC2HDAC8ERCC1ERCC4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 US disclosed
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 US disclosed
WO-2009156484-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 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-20110105530-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 ROCK2 3930/4885RPS6KA5 2348/4885MAP4K4 3842/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 ROCK2 3930/4885RPS6KA5 2348/4885MAP4K4 3842/4885

“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.