SCHEMBL3913237

SCHEMBL3913237

NC(=O)CCCOc1cc(=O)oc2ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ALDH1A1 P00352 7/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ HPGD P15428 4/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ MAOB P27338 1/20 0.43
▸ MCL1 Q07820 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GAA P10253 1/20 0.40

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
SCHEMBL3911254 0.85 KCNA3 (0.49) KCNA3ALDH1A1MAOBMCL1TSHR
SCHEMBL3920121 0.84 KCNA3 (0.51) KCNA3ALDH1A1MAOBTSHR
SCHEMBL3915228 0.84 KCNA3 (0.47) KCNA3ALDH1A1MAOBTSHR
SCHEMBL3914736 0.83 KCNA3 (0.50) KCNA3ALDH1A1MAOBTSHR
SCHEMBL3913362 0.82 KCNA3 (0.42) KCNA3ALDH1A1KDM4EHPGDHSD17B10
Trifluoroacetic Acid SCHEMBL3913356 0.81 HTR2C (0.45) KCNA3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3922173 0.81 GFER (0.49) KCNA3MEN1KMT2AMAPTALDH1A1
Trifluoroacetic Acid SCHEMBL3923252 0.80 KCNA3 (0.46) KCNA3ALDH1A1MAOBMCL1
Trifluoroacetic Acid SCHEMBL5728404 0.80 HTR2C (0.44) KCNA3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3913361 0.80 ALDH1A1 (0.47) KCNA3ALDH1A1KDM4EMAOBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667988-B1 COUMARINS AS INOS INHIBITORS AVENTIS PHARMA INC (US) 2013-04-10 — — EP claimed
EP-1667988-A1 COUMARINS AS INOS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-06-14 — — EP claimed
WO-2005026143-A1 COUMARINS AS INOS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-03-24 — — WO claimed
US-20050054681-A1 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-03-10 — — US claimed
EP-1667988-B1 COUMARINS AS INOS INHIBITORS AVENTIS PHARMA INC (US) 2013-04-10 — — EP disclosed
US-7538233-B2 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-05-26 — — US disclosed
EP-1667988-A1 COUMARINS AS INOS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-06-14 — — EP disclosed
WO-2005026143-A1 COUMARINS AS INOS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-03-24 — — WO disclosed
US-20050054681-A1 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-03-10 — — 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-20050054681-A1 Coumarins as iNOS inhibitors NOS2, NOS1, NOS3 KCNA3 3807/4885MEN1 3661/4885KMT2A 4703/4885

“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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