SCHEMBL3912910

SCHEMBL3912910

O=c1cc(OCc2ccccn2)c2cc(Cl)ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.49
▸ SYK P43405 1/20 0.45
▸ KCNA3 P22001 1/20 0.44
▸ KMO O15229 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ AGTR1 P30556 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ PRKDC P78527 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ PIK3CD O00329 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 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 SCHEMBL3921377 0.91 KMO (0.44) SLC6A4SYKKCNA3KMOALDH1A1
SCHEMBL13840577 0.82 PKM (0.54) ALDH1A1L3MBTL1TSHR
SCHEMBL3913233 0.80 AR (0.47) SLC6A4
SCHEMBL3913226 0.79 SLC6A4 (0.51) SLC6A4ALDH1A1TSHR
SCHEMBL3920848 0.75 — —
SCHEMBL3920121 0.74 KCNA3 (0.51) KCNA3ALDH1A1CA12CA1CA9
SCHEMBL3915228 0.74 KCNA3 (0.47) KCNA3ALDH1A1CA12CA1CA9
SCHEMBL3914736 0.73 KCNA3 (0.50) KCNA3ALDH1A1CA12CA1CA9
SCHEMBL3911254 0.73 KCNA3 (0.49) KCNA3ALDH1A1CA12CA1CA9
Trifluoroacetic Acid SCHEMBL3909784 0.72 AR (0.47) SLC6A4ALDH1A1

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 SLC6A4 3218/4885SYK 821/4885KCNA3 3807/4885

“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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