SCHEMBL3918098

SCHEMBL3918098

N=C(N)NCCOc1cc(=O)oc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.57
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ MAOB P27338 1/20 0.51
▸ CYP19A1 P11511 1/20 0.49
▸ PTGS2 P35354 1/20 0.48
▸ ALOX15 P16050 2/20 0.46

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
SCHEMBL3918141 0.96 KCNA3 (0.60) KCNA3CA12CA1CA9MAOB
Trifluoroacetic Acid SCHEMBL3914597 0.92 KCNA3 (0.53) KCNA3CA12CA1CA9MAOB
Trifluoroacetic Acid SCHEMBL3912353 0.89 KCNA3 (0.55) KCNA3CA12CA1CA9MAOB
SCHEMBL3921262 0.84 LMNA (0.62) KCNA3CA12CA1CA9MAOB
SCHEMBL3913362 0.81 KCNA3 (0.42) KCNA3MAOB
SCHEMBL3909724 0.80 KCNA3 (0.64) KCNA3CA12CA1CA9MAOB
SCHEMBL3912880 0.79 KCNA3 (0.67) KCNA3CA12CA1CA9MAOB
Hydrochloric Acid SCHEMBL3912271 0.79 KCNA3 (0.63) KCNA3CA12CA1CA9MAOB
SCHEMBL21171772 0.79 ALDH1A1 (0.42) KCNA3CA12CA1CA9CYP19A1
SCHEMBL3911837 0.78 KCNA3 (0.69) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 3807/4885CA12 3287/4885CA1 934/4885

“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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