SCHEMBL3213573

SCHEMBL3213573

Cn1c([C@@H]2CCC[C@H](NC(=O)c3ccc4c(c3)OCCO4)C2)nc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ CHRNA7 P36544 2/20 0.46
▸ TP53 P04637 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ MAPK11 Q15759 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ PROKR1 Q8TCW9 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ HTR2A P28223 1/20 0.41

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
SCHEMBL13490328 1.00 NPC1 (0.53) NPC1RAB9ACHRNA7TP53HPGD
SCHEMBL13490726 1.00 NPC1 (0.53) NPC1RAB9ACHRNA7TP53HPGD
SCHEMBL14192807 1.00 NPC1 (0.53) NPC1RAB9ACHRNA7TP53HPGD
SCHEMBL3210682 1.00 NPC1 (0.53) NPC1RAB9ACHRNA7TP53HPGD
SCHEMBL3219354 1.00 NPC1 (0.53) NPC1RAB9ACHRNA7TP53HPGD
Hydrochloric Acid SCHEMBL3215644 0.99 NPC1 (0.52) NPC1RAB9ACHRNA7TP53HPGD
SCHEMBL3201885 0.90 NPC1 (0.51) NPC1RAB9ACHRNA7TP53HPGD
SCHEMBL3223066 0.90 NPC1 (0.51) NPC1RAB9ACHRNA7TP53HPGD
SCHEMBL3199540 0.89 NPC1 (0.50) NPC1RAB9ACHRNA7TP53HPGD
SCHEMBL13490310 0.89 NPC1 (0.50) NPC1RAB9ACHRNA7TP53HPGD

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 4 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
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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