SCHEMBL1767448

SCHEMBL1767448

O=C(NCc1ccccc1)c1ccnc(NC(=O)c2cccc(F)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.56
KDM4C Q9H3R0 1/20 0.56
KDM5B Q9UGL1 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HPGD P15428 1/20 0.50
PKM P14618 2/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL1767407 0.94 KDM5A (0.61) KDM5AKDM4CKDM5BSMN1; SMN2NPC1
SCHEMBL1767543 0.92 SMN1; SMN2 (0.55) KDM5AKDM4CKDM5BSMN1; SMN2NPC1
SCHEMBL1767513 0.90 HTT (0.61) KDM5AKDM5BSMN1; SMN2NPC1RAB9A
SCHEMBL1767414 0.89 L3MBTL1 (0.60) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL1767460 0.89 L3MBTL1 (0.56) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL1767398 0.87 AURKA (0.56) KDM5AKDM4CKDM5BSMN1; SMN2NPC1
SCHEMBL1767502 0.85 LMNA (0.59) SMN1; SMN2RAB9ALMNAHTTTP53
SCHEMBL27813603 0.84 SMN1; SMN2 (0.52) KDM5AKDM5BSMN1; SMN2NPC1RAB9A
SCHEMBL1767447 0.84 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL1767535 0.84 PPARG (0.62) KDM5AKDM4CKDM5BSMN1; SMN2NPC1

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 KDM5A 797/4885KDM4C 533/4885KDM5B 779/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 KDM5A 797/4885KDM4C 533/4885KDM5B 779/4885

“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.