SCHEMBL3216656

SCHEMBL3216656

O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1cnc2c(c1)OCCO2

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CXCR6 O00574 1/20 0.41
▸ HTR2B P41595 3/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.39
▸ GID4 Q8IVV7 2/20 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
SCHEMBL3223163 0.88 RAB9A (0.54) NPC1RAB9ASMN1; SMN2
SCHEMBL13490408 0.88 RAB9A (0.54) NPC1RAB9ASMN1; SMN2
SCHEMBL3206398 0.88 RAB9A (0.54) NPC1RAB9ASMN1; SMN2
SCHEMBL3219584 0.88 RAB9A (0.54) NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3218199 0.88 RAB9A (0.53) NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3206504 0.88 RAB9A (0.53) NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3213336 0.88 RAB9A (0.53) NPC1RAB9ASMN1; SMN2
SCHEMBL3199404 0.86 RAB9A (0.51) NPC1RAB9ASMN1; SMN2
SCHEMBL3211457 0.85 SMN1; SMN2 (0.41) HTR2BSMN1; SMN2USP30GID4
SCHEMBL14192937 0.85 SMN1; SMN2 (0.41) HTR2BSMN1; SMN2USP30GID4

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
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 CXCR6 3847/4885HTR2B 3456/4885NPC1 3250/4885

“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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