SCHEMBL3918826

SCHEMBL3918826

Cc1ccc2oc(=O)cc(OCCCN)c2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.49
▸ KMT2A Q03164 1/20 0.43
▸ NR2E3 Q9Y5X4 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PRKDC P78527 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ ABCC1 P33527 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAOB P27338 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL3911643 0.89 KCNA3 (0.44) KCNA3KMT2ANR2E3KDM4EALDH1A1
SCHEMBL3909794 0.84 KDM4E (0.56) KCNA3KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL5728201 0.84 CYP1A2 (0.51) KCNA3KMT2ANR2E3KDM4EHSD17B10
SCHEMBL3918101 0.83 KCNA3 (0.49) KCNA3CA12CA1CA9ABCG2
SCHEMBL3911254 0.83 KCNA3 (0.49) KCNA3ALDH1A1PRKDCCA12CA1
SCHEMBL3920158 0.83 PIM1 (0.50) KCNA3KDM4EHSD17B10CA12CA1
SCHEMBL3909739 0.83 KCNA3 (0.45) KCNA3KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL3912517 0.81 KCNA3 (0.72) KCNA3CA12CA1CA9MAOB
SCHEMBL13842107 0.81 KCNA3 (0.47) KCNA3KMT2AALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL3913941 0.80 KCNA3 (0.70) KCNA3CA12CA1CA9MAOB

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 11 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
US-7538233-B2 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-05-26 — — US 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 3807/4885KMT2A 4703/4885NR2E3 4382/4885

“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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