SCHEMBL3217743

SCHEMBL3217743

CC(C)c1ccc2c(c1)nc(C1CCCC(NC(=O)c3ccc4c(c3)OCCO4)C1)n2C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ TP53 P04637 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CHRNA7 P36544 2/20 0.43
▸ HPGD P15428 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPK11 Q15759 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ NR3C1 P04150 1/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ACHE P22303 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
SCHEMBL3224095 0.93 NPC1 (0.48) NPC1RAB9ATP53MAPTCHRNA7
SCHEMBL14192807 0.87 NPC1 (0.53) NPC1RAB9ATP53CHRNA7HPGD
SCHEMBL3213573 0.87 NPC1 (0.53) NPC1RAB9ATP53CHRNA7HPGD
SCHEMBL13490328 0.87 NPC1 (0.53) NPC1RAB9ATP53CHRNA7HPGD
SCHEMBL3210682 0.87 NPC1 (0.53) NPC1RAB9ATP53CHRNA7HPGD
SCHEMBL13490726 0.87 NPC1 (0.53) NPC1RAB9ATP53CHRNA7HPGD
SCHEMBL3219354 0.87 NPC1 (0.53) NPC1RAB9ATP53CHRNA7HPGD
SCHEMBL3202564 0.87 NPC1 (0.48) NPC1RAB9ATP53CHRNA7HPGD
Hydrochloric Acid SCHEMBL3215644 0.86 NPC1 (0.52) NPC1RAB9ATP53CHRNA7HPGD
SCHEMBL3208054 0.86 NPC1 (0.48) NPC1RAB9ATP53MAPTCHRNA7

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
US-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 — — US 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 1662/4885TP53 442/4885

“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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