SCHEMBL1767535

SCHEMBL1767535

O=C(NCc1ccccc1)c1ccnc(NC(=O)c2cc(F)ccc2Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.62
SMN1; SMN2 Q16637 5/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM5A P29375 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL1767460 0.85 L3MBTL1 (0.56) PPARGSMN1; SMN2HTTLMNANPC1
SCHEMBL1767447 0.84 SMN1; SMN2 (0.54) PPARGSMN1; SMN2HTTLMNANPC1
SCHEMBL1767448 0.84 KDM5A (0.56) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL1767414 0.82 L3MBTL1 (0.60) PPARGSMN1; SMN2HTTLMNAMEN1
SCHEMBL1767543 0.82 SMN1; SMN2 (0.55) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL1767513 0.81 HTT (0.61) PPARGSMN1; SMN2HTTLMNANPC1
SCHEMBL1767407 0.81 KDM5A (0.61) PPARGSMN1; SMN2HTTLMNANPC1
SCHEMBL1767572 0.79 TSHR (0.56) PPARGSMN1; SMN2HTTLMNANPC1
SCHEMBL1767445 0.79 HPGD (0.64) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL12648679 0.79 HTT (0.54) PPARGSMN1; SMN2HTTLMNAMAPT

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 PPARG 28/4885SMN1; SMN2 3581/4885HTT 2592/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 PPARG 28/4885SMN1; SMN2 3581/4885HTT 2592/4885

“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.