SCHEMBL1767516

SCHEMBL1767516

O=C(NCCCc1ccccc1)c1ccnc(NC(=O)c2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.66
NPC1 O15118 3/20 0.66
KDM5B Q9UGL1 2/20 0.59
KDM4E B2RXH2 2/20 0.59
KDM5A P29375 1/20 0.59
KDM5C P41229 1/20 0.59
EPHX2 P34913 1/20 0.58
POLB P06746 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
BCL2 P10415 1/20 0.54
MCL1 Q07820 1/20 0.54
MLYCD O95822 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTT P42858 1/20 0.52
KDM4B O94953 1/20 0.52
HSP90AA1 P07900 1/20 0.51
NAMPT P43490 2/20 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
SCHEMBL1767435 0.93 KDM5B (0.69) RAB9ANPC1KDM5BKDM4EKDM5A
SCHEMBL1767426 0.86 KDM5B (0.60) RAB9ANPC1KDM5BKDM4EKDM5A
SCHEMBL1767513 0.85 HTT (0.61) RAB9ANPC1KDM5BKDM4EKDM5A
SCHEMBL13383540 0.82 KDM4E (0.85) RAB9ANPC1KDM5BKDM4EKDM5A
SCHEMBL1767463 0.82 MAPT (0.60) RAB9ANPC1KDM5BKDM4EKDM5A
SCHEMBL3225126 0.81 NPC1 (1.00) RAB9ANPC1KDM4EEPHX2POLB
SCHEMBL1767505 0.80 KDM4E (0.59) RAB9ANPC1KDM5BKDM4EKDM5A
SCHEMBL1568233 0.80 RAB9A (0.82) RAB9ANPC1KDM4EEPHX2POLB
SCHEMBL1767508 0.80 TRPV1 (0.52) RAB9ANPC1KDM5BKDM4EKDM5A
SCHEMBL1767509 0.80 HIF1A (0.60) KDM5BKDM4EKDM5AKDM5CSMN1; SMN2

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 RAB9A 4305/4885NPC1 228/4885KDM5B 779/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 RAB9A 4305/4885NPC1 228/4885KDM5B 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.