SCHEMBL5475796

SCHEMBL5475796

[O-][n+]1cc(-c2nc3ccccc3[nH]2)cc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.54
RAB9A P51151 12/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 11/20 0.51
KDM4E B2RXH2 11/20 0.51
ALDH1A1 P00352 10/20 0.51
PKM P14618 6/20 0.51
HSD17B10 Q99714 5/20 0.51
TP53 P04637 4/20 0.51
ABCB11 O95342 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HPGD P15428 6/20 0.51
MAPT P10636 4/20 0.51
USP2 O75604 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PKN1 Q16512 1/20 0.50
PKN2 Q16513 1/20 0.50
POLB P06746 2/20 0.49
GFER P55789 1/20 0.49
EPHX2 P34913 2/20 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
SCHEMBL5475013 0.76 NPC1 (0.54) NPC1RAB9AGAASMN1; SMN2KDM4E
SCHEMBL12153689 0.75 NPC1 (0.77) NPC1RAB9AGAASMN1; SMN2KDM4E
SCHEMBL30693675 0.74 NPC1 (0.65) NPC1RAB9AGAASMN1; SMN2KDM4E
SCHEMBL784354 0.74 NPC1 (0.65) NPC1RAB9AGAASMN1; SMN2KDM4E
SCHEMBL28117058 0.74 NPC1 (0.69) NPC1RAB9AGAASMN1; SMN2KDM4E
SCHEMBL15497747 0.73 NPC1 (0.74) NPC1RAB9AGAASMN1; SMN2KDM4E
SCHEMBL27824968 0.73 NPC1 (0.62) NPC1RAB9AGAASMN1; SMN2KDM4E
SCHEMBL29899952 0.73 NPC1 (0.62) NPC1RAB9AGAASMN1; SMN2KDM4E
SCHEMBL2178266 0.73 NPC1 (0.88) NPC1RAB9AGAASMN1; SMN2KDM4E
SCHEMBL29386825 0.73 NPC1 (0.88) NPC1RAB9AGAASMN1; SMN2KDM4E

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 2403/4885GAA 44/4885

“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.