SCHEMBL1767508

SCHEMBL1767508

O=C(NCCc1ccccc1F)c1ccnc(NC(=O)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.52
NPC1 O15118 5/20 0.52
PAX8 Q06710 1/20 0.52
KLF5 Q13887 1/20 0.52
NR3C2 P08235 1/20 0.51
NAMPT P43490 1/20 0.51
HIF1A Q16665 3/20 0.50
KDM4E B2RXH2 2/20 0.50
KDM5B Q9UGL1 2/20 0.50
KDM5A P29375 1/20 0.50
KDM5C P41229 1/20 0.50
RAB9A P51151 5/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CNR1 P21554 1/20 0.46
PARP1 P09874 1/20 0.45

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
SCHEMBL1767796 0.88 HPGD (0.51) NPC1NR3C2NAMPTRAB9A
SCHEMBL1767509 0.86 HIF1A (0.60) TRPV1NAMPTHIF1AKDM4EKDM5B
SCHEMBL1767435 0.84 KDM5B (0.69) NPC1KDM4EKDM5BKDM5AKDM5C
SCHEMBL27833559 0.84 POLB (0.57) NPC1NR3C2NAMPTKDM5BRAB9A
SCHEMBL5214716 0.82 HIF1A (0.58) TRPV1NPC1PAX8KLF5NAMPT
SCHEMBL1767426 0.81 KDM5B (0.60) NPC1NAMPTKDM4EKDM5BKDM5A
SCHEMBL1568144 0.80 RAB9A (0.64) TRPV1NPC1PAX8KLF5NAMPT
SCHEMBL1767516 0.80 RAB9A (0.66) NPC1NAMPTKDM4EKDM5BKDM5A
SCHEMBL1767463 0.79 MAPT (0.60) NPC1NR3C2NAMPTKDM4EKDM5B
SCHEMBL1767513 0.77 HTT (0.61) NPC1NAMPTKDM4EKDM5BKDM5A

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 TRPV1 382/4885NPC1 228/4885PAX8 4000/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 TRPV1 382/4885NPC1 228/4885PAX8 4000/4885

“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.