SCHEMBL1767472

SCHEMBL1767472

O=C(NCc1ccccc1)c1ccnc(NC(=O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.59
HDAC1 Q13547 1/20 0.59
MAPK14 Q16539 2/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
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

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
SCHEMBL1767475 0.95 KDM1A (0.62) KDM1AHDAC1MAPK14LMNAHTT
SCHEMBL1767502 0.91 LMNA (0.59) MAPK14LMNAHTTSMN1; SMN2RAB9A
SCHEMBL1767683 0.90 MAPK14 (0.60) KDM1AHDAC1MAPK14LMNAHTT
SCHEMBL1767513 0.89 HTT (0.61) KDM1AHDAC1LMNAHTTSMN1; SMN2
SCHEMBL1767460 0.88 L3MBTL1 (0.56) KDM1AHDAC1MAPK14LMNAHTT
SCHEMBL1767423 0.87 MAPK14 (0.59) HDAC1MAPK14LMNAHTTSMN1; SMN2
SCHEMBL13574797 0.86 LMNA (0.55) KDM1AHDAC1LMNAHTTSMN1; SMN2
SCHEMBL12648679 0.84 HTT (0.54) KDM1AHDAC1LMNAHTTSMN1; SMN2
SCHEMBL1767414 0.84 L3MBTL1 (0.60) KDM1AHDAC1MAPK14LMNAHTT
SCHEMBL1767543 0.84 SMN1; SMN2 (0.55) LMNAHTTSMN1; SMN2ROCK2RPS6KA5

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 9 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
CN-102119152-B Organic compounds NOVARTIS AG 2014-07-02 CN disclosed
CN-102119152-A Organic compounds NOVARTIS AG 2011-07-06 CN 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 KDM1A 1068/4885HDAC1 136/4885MAPK14 4476/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 KDM1A 1068/4885HDAC1 136/4885MAPK14 4476/4885

“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.