SCHEMBL949170

SCHEMBL949170

O=C(NCc1ccccn1)c1ccncc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.73
POLB P06746 2/20 0.73
NPC1 O15118 1/20 0.73
RAB9A P51151 1/20 0.73
KMT2A Q03164 5/20 0.68
MEN1 O00255 4/20 0.68
MAPK14 Q16539 1/20 0.68
CA2 P00918 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.65
HPGD P15428 3/20 0.63
HSD17B10 Q99714 1/20 0.63
MELK Q14680 1/20 0.62
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 2/20 0.62
HTT P42858 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58

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
SCHEMBL166484 0.90 LMNA (0.82) LMNAPOLBNPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL27843329 0.89 LMNA (0.80) LMNAPOLBNPC1RAB9AKMT2A
SCHEMBL21768049 0.86 LMNA (0.76) LMNAPOLBNPC1RAB9AKMT2A
SCHEMBL4181950 0.85 LMNA (0.70) LMNAPOLBNPC1RAB9AKMT2A
SCHEMBL18031536 0.84 LMNA (0.74) LMNAPOLBNPC1RAB9AKMT2A
SCHEMBL13102332 0.84 RAB9A (0.74) LMNAPOLBNPC1RAB9AKMT2A
SCHEMBL11625676 0.84 LMNA (0.74) LMNAPOLBNPC1RAB9AKMT2A
SCHEMBL95175 0.84 LMNA (0.74) LMNAPOLBNPC1RAB9AKMT2A
SCHEMBL11626590 0.84 POLB (0.74) LMNAPOLBNPC1RAB9AKMT2A
SCHEMBL1393086 0.84 LMNA (1.00) LMNAPOLBNPC1RAB9AKMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307379-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 EP claimed
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-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 US disclosed
EP-2307379-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 EP disclosed
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP 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 (4 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 LMNA 2176/4885POLB 2337/4885NPC1 228/4885
US-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 LMNA 2660/4885POLB 2031/4885NPC1 2889/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 LMNA 2787/4885POLB 1843/4885NPC1 2969/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 LMNA 2176/4885POLB 2337/4885NPC1 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.