SCHEMBL1767476

SCHEMBL1767476

COc1cc(C(=O)NCc2ccccc2)cc(N)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.55
HPGD P15428 3/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
HPGDS O60760 1/20 0.52
TP53 P04637 2/20 0.50
CYP2C19 P33261 2/20 0.50
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
CYP2D6 P10635 1/20 0.49
GLA P06280 1/20 0.49
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KLKB1 P03952 1/20 0.48
MPO P05164 1/20 0.47
HDAC1 Q13547 1/20 0.47
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL1767586 0.85 BCHE (0.57) HPGDLMNASMN1; SMN2L3MBTL1HPGDS
SCHEMBL1767459 0.81 SCD (0.52) HPGDLMNASMN1; SMN2L3MBTL1HPGDS
SCHEMBL1569183 0.79 LMNA (0.64) HPGDLMNASMN1; SMN2L3MBTL1HPGDS
SCHEMBL2915318 0.75 HDAC6 (0.74) HPGDLMNASMN1; SMN2HPGDSROCK2
SCHEMBL20804537 0.75 SMN1; SMN2 (0.60) HPGDLMNASMN1; SMN2L3MBTL1TP53
SCHEMBL9999560 0.74 HDAC6 (0.60) PLAUHPGDLMNAHPGDSCYP2C19
SCHEMBL24162968 0.74 HPGD (0.70) HPGDLMNASMN1; SMN2L3MBTL1TP53
SCHEMBL2919972 0.74 SMN1; SMN2 (0.82) HPGDLMNASMN1; SMN2L3MBTL1TP53
SCHEMBL1767473 0.74 LMNA (0.65) PLAULMNASMN1; SMN2L3MBTL1HPGDS
SCHEMBL2715034 0.74 KDM4E (0.56) LMNAALDH1A1KDM4E

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 10 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-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
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 US 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
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 PLAU 1446/4885HPGD 344/4885LMNA 2176/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 PLAU 1446/4885HPGD 344/4885LMNA 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.