SCHEMBL1767513

SCHEMBL1767513

O=C(NCc1ccccc1)c1ccnc(NC(=O)c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
LMNA P02545 1/20 0.61
HDAC6 Q9UBN7 3/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
ROCK2 O75116 1/20 0.53
RPS6KA5 O75582 1/20 0.53
MAP4K4 O95819 1/20 0.53
PRKCG P05129 1/20 0.53
PRKACA P17612 1/20 0.53
RPS6KB1 P23443 1/20 0.53
MAPK1 P28482 1/20 0.53
AKT1 P31749 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
PRKX P51817 1/20 0.53
PRKCD Q05655 1/20 0.53
PRKG2 Q13237 1/20 0.53
ROCK1 Q13464 1/20 0.53

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
SCHEMBL1767572 0.92 TSHR (0.56) HTTSMN1; SMN2LMNAHDAC6NPC1
SCHEMBL13574797 0.91 LMNA (0.55) HTTSMN1; SMN2LMNAHDAC6HDAC2
SCHEMBL1767434 0.91 HDAC1 (0.60) HTTSMN1; SMN2LMNAHDAC6NPC1
SCHEMBL1767460 0.91 L3MBTL1 (0.56) HTTSMN1; SMN2LMNAHDAC6HDAC2
SCHEMBL1767414 0.91 L3MBTL1 (0.60) HTTSMN1; SMN2LMNAHDAC6NAMPT
SCHEMBL1767448 0.90 KDM5A (0.56) HTTSMN1; SMN2LMNAHDAC6HDAC2
SCHEMBL1767475 0.89 KDM1A (0.62) HTTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL1767368 0.89 NPC1 (0.59) HTTSMN1; SMN2LMNAMAPK1NPC1
SCHEMBL1767407 0.89 KDM5A (0.61) HTTSMN1; SMN2LMNAHDAC6HDAC2
SCHEMBL1767472 0.89 KDM1A (0.59) HTTSMN1; SMN2LMNAHDAC6ROCK2

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 HTT 2592/4885SMN1; SMN2 3581/4885LMNA 2176/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 HTT 2592/4885SMN1; SMN2 3581/4885LMNA 2176/4885

“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.