SCHEMBL13490663

SCHEMBL13490663

O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc2ccccc2c1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ HTR2B P41595 3/20 0.46
▸ CXCR6 O00574 1/20 0.46
▸ GID4 Q8IVV7 1/20 0.45
▸ PIN1 Q13526 1/20 0.45

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
Trifluoroacetic Acid SCHEMBL3210512 0.94 HTR2B (0.43) SMN1; SMN2CHEK1HTR2BCXCR6GID4
SCHEMBL3211035 0.89 SMYD3 (0.49) SMN1; SMN2CHEK1HTR2BCXCR6GID4
SCHEMBL13490569 0.89 SMYD3 (0.49) SMN1; SMN2CHEK1HTR2BCXCR6GID4
SCHEMBL13490698 0.89 SMYD3 (0.49) SMN1; SMN2CHEK1HTR2BCXCR6GID4
SCHEMBL14192836 0.89 CHEK1 (0.46) SMN1; SMN2CHEK1HTR2BCXCR6GID4
Hydrochloric Acid SCHEMBL3210407 0.88 SMYD3 (0.48) SMN1; SMN2CHEK1HTR2BCXCR6GID4
SCHEMBL13490684 0.88 EPHX2 (0.50) SMN1; SMN2CHEK1HTR2BCXCR6GID4
SCHEMBL13490701 0.86 HTR2B (0.46) SMN1; SMN2CHEK1HTR2BCXCR6GID4
SCHEMBL13490686 0.86 CXCR6 (0.46) SMN1; SMN2CHEK1HTR2BCXCR6GID4
SCHEMBL13490582 0.86 FOXO1 (0.50) SMN1; SMN2CHEK1HTR2BCXCR6

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
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 SMN1; SMN2 746/4885CHEK1 1651/4885HTR2B 3456/4885

“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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