SCHEMBL13490327

SCHEMBL13490327

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.48
▸ RAB9A P51151 6/20 0.48
▸ CHRNA7 P36544 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ ABCC9 O60706 1/20 0.40
▸ F2RL1 P55085 2/20 0.40
▸ F2RL3 Q96RI0 1/20 0.40
▸ GRM5 P41594 2/20 0.40
▸ AURKA O14965 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ PRKCG P05129 1/20 0.39
▸ PHKG2 P15735 1/20 0.39

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
SCHEMBL3208054 1.00 NPC1 (0.48) NPC1RAB9ACHRNA7TP53HPGD
SCHEMBL13490326 0.94 NPC1 (0.48) NPC1RAB9ACHRNA7TP53HPGD
SCHEMBL3212392 0.94 NPC1 (0.48) NPC1RAB9ACHRNA7TP53HPGD
SCHEMBL3222668 0.88 NPC1 (0.46) NPC1RAB9ACHRNA7TP53HPGD
SCHEMBL3218553 0.88 NPC1 (0.45) NPC1RAB9ACHRNA7TP53HPGD
SCHEMBL13490328 0.87 NPC1 (0.53) NPC1RAB9ACHRNA7TP53HPGD
SCHEMBL3219354 0.87 NPC1 (0.53) NPC1RAB9ACHRNA7TP53HPGD
SCHEMBL3213573 0.87 NPC1 (0.53) NPC1RAB9ACHRNA7TP53HPGD
SCHEMBL14192807 0.87 NPC1 (0.53) NPC1RAB9ACHRNA7TP53HPGD
SCHEMBL3210682 0.87 NPC1 (0.53) 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 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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