SCHEMBL1767423

SCHEMBL1767423

O=C(NCc1ccccc1)c1ccnc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.59
HTR2C P28335 1/20 0.56
EPHX2 P34913 3/20 0.55
NR1H4 Q96RI1 1/20 0.55
NAMPT P43490 4/20 0.54
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
FAAH O00519 1/20 0.52
HPGD P15428 3/20 0.51
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
HDAC1 Q13547 1/20 0.51
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49

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
SCHEMBL1767472 0.87 KDM1A (0.59) MAPK14NAMPTROCK2ROCK1SMN1; SMN2
SCHEMBL1767497 0.86 NPC1 (0.60) MAPK14SMN1; SMN2LMNAHTTHPGD
SCHEMBL1767513 0.85 HTT (0.61) NAMPTROCK2ROCK1SMN1; SMN2LMNA
SCHEMBL2714984 0.85 EPHX2 (0.57) HTR2CEPHX2NR1H4NAMPTSMN1; SMN2
SCHEMBL1767460 0.85 L3MBTL1 (0.56) MAPK14NAMPTROCK2ROCK1SMN1; SMN2
SCHEMBL27920874 0.84 MAPK14 (0.74) MAPK14HTR2CEPHX2NR1H4NAMPT
SCHEMBL2715999 0.83 EPHX2 (0.55) HTR2CEPHX2NR1H4NAMPTSMN1; SMN2
SCHEMBL1767475 0.83 KDM1A (0.62) MAPK14NAMPTSMN1; SMN2LMNAHTT
SCHEMBL2715063 0.82 EPHX2 (0.54) HTR2CEPHX2NR1H4NAMPTSMN1; SMN2
SCHEMBL2715564 0.82 GSK3B (0.62) HTR2CEPHX2NR1H4NAMPTSMN1; 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 MAPK14 4476/4885HTR2C 1426/4885EPHX2 905/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 MAPK14 4476/4885HTR2C 1426/4885EPHX2 905/4885

“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.