SCHEMBL5475013

SCHEMBL5475013

[O-][n+]1cc(-c2cc3ccccc3[nH]2)cc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
KDM4E B2RXH2 5/20 0.49
MAPT P10636 5/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
CASP3 P42574 2/20 0.49
SENP8 Q96LD8 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
SENP6 Q9GZR1 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYP19A1 P11511 3/20 0.45

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
SCHEMBL5475796 0.76 NPC1 (0.54) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL5393814 0.74 KDR (0.43) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL2008748 0.74 PARP1 (0.50) NPC1RAB9ACA1CA2CA9
SCHEMBL5053299 0.73 NPC1 (0.87) NPC1RAB9ACA12CA1CA2
SCHEMBL28416625 0.72 NPC1 (0.83) NPC1RAB9ACA12CA1CA2
2-Phenyl-1H-Indole SCHEMBL29363616 0.72 NPC1 (1.00) NPC1RAB9ACA12CA1CA2
2-Phenyl-1H-Indole SCHEMBL341378 0.72 NPC1 (1.00) NPC1RAB9ACA12CA1CA2
SCHEMBL374022 0.71 RAB9A (0.74) NPC1RAB9ACA12CA1CA2
SCHEMBL29631691 0.71 RAB9A (0.74) NPC1RAB9ACA12CA1CA2
SCHEMBL30729276 0.71 NPC1 (0.68) NPC1RAB9ACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032518-A1 Compounds and methods of use AMGEN INC. (US) 2007-02-08 US disclosed
US-6822097-B1 THIAZOLE-SUBSTITUTED QUINOLINE DERIVATIVES; ANTICARCINOGENIC AGENTS, ANTISTROKE AGENTS; APOPTOSIS AND CELL PROLIFERATION TREATMENT; NERVOUS SYSTEM DISORDERS AMGEN, INC. 2004-11-23 US 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-20070032518-A1 Compounds and methods of use BAX, BAD, CASP3 NPC1 69/4885RAB9A 2403/4885CA12 1755/4885

“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.