SCHEMBL13490332

SCHEMBL13490332

CN(C)Cc1ccc2nc(C3CCCC(NC(=O)c4ccc5c(c4)OCCO5)C3)n(C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ CHRNA7 P36544 2/20 0.41
▸ ACHE P22303 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPK11 Q15759 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ SMYD3 Q9H7B4 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ UTS2R Q9UKP6 1/20 0.38

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
SCHEMBL3218125 1.00 NPC1 (0.46) NPC1RAB9ACHRNA7ACHEHPGD
SCHEMBL3210950 0.94 NPC1 (0.46) NPC1RAB9ACHRNA7ACHEHPGD
SCHEMBL3206289 0.91 NPC1 (0.48) NPC1RAB9ACHRNA7ACHEHPGD
SCHEMBL13490330 0.91 NPC1 (0.48) NPC1RAB9ACHRNA7ACHEHPGD
SCHEMBL3222808 0.91 NPC1 (0.48) NPC1RAB9ACHRNA7ACHEHPGD
SCHEMBL3213404 0.89 NPC1 (0.46) NPC1RAB9ACHRNA7ACHEHPGD
SCHEMBL13490331 0.89 NPC1 (0.46) NPC1RAB9ACHRNA7ACHEHPGD
SCHEMBL3209725 0.88 NPC1 (0.46) NPC1RAB9ACHRNA7ACHEHPGD
SCHEMBL13490334 0.87 ACHE (0.48) NPC1RAB9ACHRNA7ACHETP53
SCHEMBL3213585 0.87 ACHE (0.48) NPC1RAB9ACHRNA7ACHETP53

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-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 — — US disclosed
US-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 — — 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-20100029615-A1 BENZIMIDAZOLE DERIVATIVES ACIN1, HAT1, CCNE1 NPC1 3250/4885RAB9A 1662/4885CHRNA7 3443/4885

“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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