SCHEMBL3218553

SCHEMBL3218553

Cn1c(C2CCCC(NC(=O)c3ccc4c(c3)OCCO4)C2)nc2cc(C(C)(C)C#N)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ CHRNA7 P36544 2/20 0.40
▸ HPGD P15428 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ DRD2 P14416 2/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PTGER3 P43115 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL13490333 0.94 NPC1 (0.45) NPC1RAB9ACHRNA7HPGDSMN1; SMN2
SCHEMBL3215435 0.94 NPC1 (0.45) NPC1RAB9ACHRNA7HPGDSMN1; SMN2
SCHEMBL3211302 0.91 NPC1 (0.48) NPC1RAB9ACHRNA7HPGDSMN1; SMN2
SCHEMBL13490327 0.88 NPC1 (0.48) NPC1RAB9ACHRNA7HPGDSMN1; SMN2
SCHEMBL3208054 0.88 NPC1 (0.48) NPC1RAB9ACHRNA7HPGDSMN1; SMN2
SCHEMBL3222668 0.85 NPC1 (0.46) NPC1RAB9ACHRNA7HPGDSMN1; SMN2
SCHEMBL3218176 0.84 NPC1 (0.48) NPC1RAB9ACHRNA7HPGDSMN1; SMN2
SCHEMBL3213573 0.84 NPC1 (0.53) NPC1RAB9ACHRNA7HPGDSMN1; SMN2
SCHEMBL13490328 0.84 NPC1 (0.53) NPC1RAB9ACHRNA7HPGDSMN1; SMN2
SCHEMBL3210682 0.84 NPC1 (0.53) NPC1RAB9ACHRNA7HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 — — US disclosed
EP-2121626-A1 BENZIMIDAZOLE DERIVATIVES Pfizer Products Inc. (US) 2009-11-25 — — EP disclosed
WO-2008075196-A1 BENZIMIDAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-06-26 — — 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-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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