SCHEMBL6353454

SCHEMBL6353454

COc1nc(N2CCCC2=O)ccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ NR3C2 P08235 5/20 0.41
▸ PGR P06401 4/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ AR P10275 1/20 0.41
▸ IDH1 O75874 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ RECQL P46063 1/20 0.37

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
SCHEMBL14686891 0.82 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL17371708 0.79 POLB (0.55) POLBTDP1ALDH1A1HPGDNR3C2
SCHEMBL26643208 0.75 SMN1; SMN2 (0.39) ALDH1A1HPGDIDH1MAPTSMN1; SMN2
SCHEMBL30643905 0.75 SMN1; SMN2 (0.39) ALDH1A1HPGDIDH1MAPTSMN1; SMN2
SCHEMBL17075539 0.73 PRKAB2 (0.58) POLBTDP1ALDH1A1HPGDMAPT
SCHEMBL5853121 0.72 ALDH1A1 (0.46) POLBTDP1ALDH1A1CYP1A2CYP2D6
SCHEMBL14687884 0.72 NPC1 (0.53) ALDH1A1CYP1A2CYP2C19HPGDKDM4E
SCHEMBL16378116 0.71 POLB (0.49) POLBTDP1ALDH1A1CYP2D6CYP2C19
SCHEMBL17144056 0.71 ALDH1A1 (0.52) TDP1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL17153203 0.69 CRBN (0.50) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050085520-A1 Benzamide derivatives, processes for their preparation, and their pharmaceutical use SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-21 — — 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-20050085520-A1 Benzamide derivatives, processes for their preparation, and their pharmaceutical use BACE2, PSEN2, BACE1 POLB 822/4885TDP1 1377/4885ALDH1A1 1848/4885

“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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