SCHEMBL1767796

SCHEMBL1767796

O=C(NCc1ccccc1F)c1ccnc(NC(=O)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
NAMPT P43490 2/20 0.51
POLB P06746 1/20 0.51
NPC1 O15118 2/20 0.50
ROCK2 O75116 3/20 0.49
LMNA P02545 3/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RAB9A P51151 1/20 0.48
ACHE P22303 1/20 0.48
GSK3B P49841 1/20 0.48
NR3C2 P08235 1/20 0.47
HSD17B13 Q7Z5P4 2/20 0.47
TP53 P04637 1/20 0.46
ROCK1 Q13464 1/20 0.46

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
SCHEMBL1767508 0.88 TRPV1 (0.52) NAMPTNPC1RAB9ANR3C2
SCHEMBL1767801 0.86 SMN1; SMN2 (0.67) ROCK2LMNAMAPTSMN1; SMN2TP53
SCHEMBL1767477 0.86 HPGD (0.67) HPGDNAMPTNPC1ROCK2LMNA
SCHEMBL1767513 0.84 HTT (0.61) NAMPTPOLBNPC1ROCK2LMNA
SCHEMBL1767414 0.83 L3MBTL1 (0.60) NAMPTLMNASMN1; SMN2
SCHEMBL1767398 0.83 AURKA (0.56) NAMPTNPC1ROCK2LMNAMAPT
SCHEMBL1767439 0.83 MAPT (0.69) HPGDNAMPTPOLBROCK2LMNA
SCHEMBL2914008 0.82 HPGD (0.65) HPGDNAMPTPOLBNPC1LMNA
SCHEMBL1767407 0.81 KDM5A (0.61) NAMPTNPC1ROCK2LMNAMAPT
SCHEMBL5213150 0.81 HPGD (0.57) HPGDNAMPTPOLBNPC1ROCK2

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 HPGD 344/4885NAMPT 484/4885POLB 2337/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 HPGD 344/4885NAMPT 484/4885POLB 2337/4885

“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.