SCHEMBL1767683

SCHEMBL1767683

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.60
MLYCD O95822 1/20 0.60
LMNA P02545 2/20 0.58
RAB9A P51151 1/20 0.58
MEN1 O00255 1/20 0.56
PLA2G1B P04054 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
GAA P10253 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ATG4B Q9Y4P1 1/20 0.56
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
CASP1 P29466 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GPR52 Q9Y2T5 3/20 0.54

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
SCHEMBL1767502 0.95 LMNA (0.59) MAPK14MLYCDLMNARAB9AALOX15
SCHEMBL1767472 0.90 KDM1A (0.59) MAPK14MLYCDLMNARAB9AMRGPRX4
SCHEMBL1767475 0.90 KDM1A (0.62) MAPK14LMNARAB9AALOX15TSHR
SCHEMBL2715062 0.88 MLYCD (0.58) MAPK14MLYCDLMNARAB9AMEN1
SCHEMBL1767513 0.86 HTT (0.61) LMNARAB9AMEN1KMT2AKDM1A
SCHEMBL2714261 0.86 MLYCD (0.56) MAPK14MLYCDLMNARAB9AMEN1
SCHEMBL1767407 0.86 KDM5A (0.61) LMNARAB9AMEN1KMT2ANR3C2
SCHEMBL2717072 0.85 BRAF (0.61) MAPK14MLYCDMEN1PLA2G1BCYP1A2
SCHEMBL2717704 0.85 SCN9A (0.57) MAPK14MLYCDLMNARAB9AMEN1
SCHEMBL5261051 0.85 MLYCD (0.80) MAPK14MLYCDLMNARAB9AMEN1

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 MAPK14 4476/4885MLYCD 100/4885LMNA 2176/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 MAPK14 4476/4885MLYCD 100/4885LMNA 2176/4885

“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.