SCHEMBL3219946

SCHEMBL3219946

O=C(O)[C@H]1CCC[C@H](C(=O)OCc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 4/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
FABP7 O15540 1/20 0.49
FABP5 Q01469 1/20 0.49
HPGD P15428 2/20 0.45
USP2 O75604 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C1 Q04828 1/20 0.45
CYP2C19 P33261 1/20 0.45
ATM Q13315 1/20 0.45
FKBP1A P62942 3/20 0.44
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44

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
SCHEMBL3209621 1.00 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL3202449 1.00 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL24358776 1.00 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL3208026 1.00 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL15743128 0.95 TSHR (0.56) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL15709940 0.95 TSHR (0.56) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL15709938 0.95 TSHR (0.56) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL15743153 0.89 ALDH1A1 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL3664444 0.89 TSHR (0.58) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL15709806 0.89 ALDH1A1 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1GAA

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 SMN1; SMN2 746/4885NPC1 3250/4885RAB9A 1662/4885

“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.