SCHEMBL1250709

SCHEMBL1250709

Nc1ccc(C(=O)Nc2ccc3ccccc3n2)cc1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 11/20 0.67
▸ RAB9A P51151 10/20 0.67
▸ MTOR P42345 1/20 0.63
▸ CYP3A4 P08684 1/20 0.56
▸ ADORA3 P0DMS8 1/20 0.52
▸ ADORA2A P29274 1/20 0.52
▸ ADORA2B P29275 1/20 0.52
▸ ADORA1 P30542 1/20 0.52
▸ CNR2 P34972 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ SORT1 Q99523 1/20 0.50
▸ RPS6KA3 P51812 1/20 0.49
▸ RPS6KA2 Q15349 1/20 0.49
▸ DEGS1 O15121 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ CASP3 P42574 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ NFKB1 P19838 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
SCHEMBL1251631 0.84 NPC1 (0.56) NPC1RAB9AMTORCYP3A4ADORA3
SCHEMBL3770533 0.83 NPC1 (0.71) NPC1RAB9AMTORCYP3A4ADORA3
SCHEMBL3770530 0.81 NPC1 (0.71) NPC1RAB9AMTORCYP3A4ADORA3
SCHEMBL6257291 0.81 NPC1 (1.00) NPC1RAB9AMTORADORA3ADORA2A
SCHEMBL12204397 0.80 NPC1 (1.00) NPC1RAB9AMTORADORA3ADORA2A
SCHEMBL5091480 0.78 NPC1 (0.77) NPC1RAB9AMTORCYP3A4ADORA3
SCHEMBL15931641 0.78 NPC1 (1.00) NPC1RAB9AMTORCYP3A4ADORA3
SCHEMBL3764441 0.77 RAB9A (0.78) NPC1RAB9AMTORKMT2AMEN1
SCHEMBL19616650 0.76 NPC1 (0.74) NPC1RAB9AMTORCYP3A4ADORA3
SCHEMBL2947068 0.76 GRM5 (0.68) NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 — — EP disclosed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 — — US disclosed
US-20110046133-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-02-24 — — US disclosed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 — — EP disclosed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 — — 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 (1 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-20110046133-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 NPC1 32/4885RAB9A 1888/4885MTOR 3883/4885

“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.

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