SCHEMBL3199520

SCHEMBL3199520

O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc(Cl)nc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ HTR2B P41595 6/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CXCR6 O00574 1/20 0.43
▸ USP30 Q70CQ3 1/20 0.42
▸ GID4 Q8IVV7 1/20 0.42

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
SCHEMBL13490619 0.87 CXCR6 (0.42) HTR2BSMN1; SMN2CXCR6USP30GID4
Hydrochloric Acid SCHEMBL3224045 0.86 CXCR6 (0.42) HTR2BSMN1; SMN2CXCR6USP30GID4
SCHEMBL13490374 0.85 GRM5 (0.53) ALDH1A1HTR2BSMN1; SMN2CXCR6
SCHEMBL13490582 0.85 FOXO1 (0.50) ALDH1A1HTR2BSMN1; SMN2CXCR6
Hydrochloric Acid SCHEMBL3199346 0.84 GRM5 (0.53) ALDH1A1HTR2BSMN1; SMN2CXCR6
SCHEMBL13490663 0.84 SMN1; SMN2 (0.47) HTR2BSMN1; SMN2CXCR6GID4
SCHEMBL14192836 0.83 CHEK1 (0.46) HTR2BSMN1; SMN2CXCR6USP30GID4
SCHEMBL3212293 0.83 HCAR3 (0.45) ALDH1A1HTR2BCXCR6GID4
SCHEMBL14192261 0.83 HCAR3 (0.45) ALDH1A1HTR2BCXCR6GID4
SCHEMBL13490400 0.82 HTR2B (0.56) ALDH1A1HTR2BSMN1; SMN2CXCR6

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
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 ALDH1A1 680/4885HTR2B 3456/4885SMN1; SMN2 746/4885

“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.

Send feedback