SCHEMBL5853121

SCHEMBL5853121

COc1cc(C(=O)O)cc(N2CCCC2=O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ CYP2C9 P11712 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL5853270 0.86 ALDH1A1 (0.41) ALDH1A1KDM4ECYP2C9HPGDCYP1A2
SCHEMBL2711845 0.82 ALDH1A1 (0.43) ALDH1A1KDM4ECYP2C9HPGDCYP1A2
SCHEMBL2712767 0.80 ALDH1A1 (0.42) ALDH1A1KDM4ECYP2C9HPGDCYP1A2
SCHEMBL668838 0.75 KDM4E (0.69) ALDH1A1KDM4ECYP1A2TDP1LMNA
SCHEMBL22425776 0.75 ADORA2A (0.42) ALDH1A1KDM4ECYP2C9HPGDCYP1A2
SCHEMBL5222262 0.74 ALDH1A1 (0.50) ALDH1A1KDM4ECYP2C9HPGDCYP1A2
SCHEMBL5224872 0.72 ALDH1A1 (0.61) ALDH1A1KDM4ECYP2C9HPGDCYP1A2
SCHEMBL6353454 0.72 POLB (0.49) ALDH1A1KDM4ECYP2C9HPGDCYP1A2
SCHEMBL24473869 0.71 ALDH1A1 (0.56) ALDH1A1KDM4ECYP2C9HPGDCYP1A2
SCHEMBL1425163 0.71 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1LMNAKMT2A

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-6992103-B2 Benzamide derivatives, processes for their preparation, and their pharmaceutical use SMITHKLINE BEECHAM P.L.C. (GB) 2006-01-31 — — US disclosed
US-20050085520-A1 Benzamide derivatives, processes for their preparation, and their pharmaceutical use SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-21 — — US disclosed
EP-1448520-A1 BENZAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2004-08-25 — — EP disclosed
WO-2003045913-A1 BENZAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-05 — — 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-20050085520-A1 Benzamide derivatives, processes for their preparation, and their pharmaceutical use BACE2, PSEN2, BACE1 ALDH1A1 1848/4885KDM4E 1664/4885CYP2C9 2765/4885

“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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