SCHEMBL1767463

SCHEMBL1767463

COc1ccc(CCNC(=O)c2ccnc(NC(=O)c3ccccc3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
KDM5B Q9UGL1 2/20 0.60
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 2/20 0.56
KDM5A P29375 1/20 0.56
KDM5C P41229 1/20 0.56
F2 P00734 1/20 0.54
MAPK14 Q16539 1/20 0.54
ALDH1A1 P00352 2/20 0.53
NAMPT P43490 1/20 0.53
MEN1 O00255 2/20 0.53
EGFR P00533 1/20 0.53
ERBB3 P21860 1/20 0.53
RAB9A P51151 4/20 0.52
NPC1 O15118 2/20 0.52
FPR2 P25090 1/20 0.52
NR3C2 P08235 1/20 0.52
PTPN1 P18031 1/20 0.51

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
SCHEMBL1767505 0.90 KDM4E (0.59) MAPTSMN1; SMN2KDM5BKDM4EKDM5A
SCHEMBL1767521 0.89 HDAC1 (0.62) SMN1; SMN2KMT2AF2MAPK14MEN1
SCHEMBL1767435 0.89 KDM5B (0.69) SMN1; SMN2KDM5BKMT2AKDM4EKDM5A
SCHEMBL1767426 0.87 KDM5B (0.60) MAPTSMN1; SMN2KDM5BKDM4EKDM5A
SCHEMBL1767497 0.85 NPC1 (0.60) SMN1; SMN2KMT2AF2MAPK14ALDH1A1
SCHEMBL2335992 0.84 KMT2A (0.71) MAPTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL27833559 0.83 POLB (0.57) MAPTKDM5BKMT2ANAMPTMEN1
Iodide SCHEMBL30758593 0.83 KMT2A (0.70) MAPTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL1767516 0.82 RAB9A (0.66) SMN1; SMN2KDM5BKDM4EKDM5AKDM5C
SCHEMBL1767576 0.81 MMP13 (0.67) MAPTKMT2AMAPK14NAMPTRAB9A

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 MAPT 2947/4885SMN1; SMN2 3581/4885KDM5B 779/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 MAPT 2947/4885SMN1; SMN2 3581/4885KDM5B 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.