SCHEMBL1767407

SCHEMBL1767407

O=C(NCc1cccc(F)c1)c1ccnc(NC(=O)c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.61
KDM4C Q9H3R0 1/20 0.61
KDM5B Q9UGL1 1/20 0.61
ROCK2 O75116 4/20 0.53
NAMPT P43490 1/20 0.53
TP53 P04637 3/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
HTT P42858 1/20 0.50
NR3C2 P08235 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 1/20 0.48
AURKA O14965 1/20 0.48

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
SCHEMBL1767448 0.94 KDM5A (0.56) KDM5AKDM4CKDM5BROCK2TP53
SCHEMBL1767398 0.91 AURKA (0.56) KDM5AKDM4CKDM5BROCK2NAMPT
SCHEMBL1767513 0.89 HTT (0.61) KDM5AKDM5BROCK2NAMPTMAPT
SCHEMBL1767460 0.88 L3MBTL1 (0.56) ROCK2NAMPTLMNASMN1; SMN2NPC1
SCHEMBL1767414 0.88 L3MBTL1 (0.60) NAMPTLMNASMN1; SMN2HTTMEN1
SCHEMBL1767368 0.86 NPC1 (0.59) TP53LMNASMN1; SMN2NPC1RAB9A
SCHEMBL1767543 0.86 SMN1; SMN2 (0.55) KDM5AKDM4CKDM5BROCK2MAPT
SCHEMBL1767683 0.86 MAPK14 (0.60) ROCK2LMNASMN1; SMN2RAB9AHTT
SCHEMBL3462286 0.84 HDAC2 (0.60) NAMPTTP53MAPTLMNANPC1
SCHEMBL1767576 0.84 MMP13 (0.67) ROCK2NAMPTTP53MAPTLMNA

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.