SCHEMBL1767477

SCHEMBL1767477

Cc1ccccc1CNC(=O)c1ccnc(NC(=O)c2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.67
ALDH1A1 P00352 2/20 0.67
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MAPT P10636 5/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
PPARG P37231 2/20 0.52
NAMPT P43490 1/20 0.51
CA2 P00918 1/20 0.50
ATM Q13315 1/20 0.50
SCN2A Q99250 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.49
HTT P42858 1/20 0.49
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ACHE P22303 1/20 0.48
GSK3B P49841 1/20 0.48
ROCK2 O75116 1/20 0.48
MEN1 O00255 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
SCHEMBL1767796 0.86 HPGD (0.51) HPGDNPC1RAB9AMAPTLMNA
SCHEMBL1767801 0.86 SMN1; SMN2 (0.67) ALDH1A1MAPTLMNAKDM4ESCN2A
SCHEMBL1767439 0.85 MAPT (0.69) HPGDALDH1A1MAPTLMNAPPARG
SCHEMBL1767513 0.84 HTT (0.61) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL1767434 0.83 HDAC1 (0.60) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL4521046 0.82 ALDH1A1 (1.00) HPGDALDH1A1MAPTLMNAKDM4E
SCHEMBL5212725 0.81 HPGD (0.62) HPGDALDH1A1MAPTLMNAKDM4E
SCHEMBL1767572 0.80 TSHR (0.56) ALDH1A1NPC1RAB9ALMNAPPARG
SCHEMBL1568387 0.79 HPGD (0.77) HPGDALDH1A1MAPTLMNAKDM4E
SCHEMBL30780061 0.79 HPGD (0.77) HPGDALDH1A1MAPTLMNAKDM4E

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 344/4885ALDH1A1 451/4885NPC1 228/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 HPGD 344/4885ALDH1A1 451/4885NPC1 228/4885

“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.