SCHEMBL3918101

SCHEMBL3918101

NCCCOc1cc(=O)oc2ccc(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 2/20 0.49
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ ABCG2 Q9UNQ0 2/20 0.40
▸ NQO1 P15559 1/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ PARP3 Q9Y6F1 1/20 0.39

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 SCHEMBL3913747 0.91 KCNA3 (0.44) KCNA3CA12CA1CA9NQO1
SCHEMBL3911254 0.83 KCNA3 (0.49) KCNA3CA12CA1CA9MAOB
SCHEMBL3920158 0.83 PIM1 (0.50) KCNA3CA12CA1CA9MAOB
SCHEMBL3918826 0.83 KCNA3 (0.49) KCNA3CA12CA1CA9MAOB
SCHEMBL24522922 0.82 KCNA3 (0.48) KCNA3CA12CA1CA9MAOB
SCHEMBL3912517 0.81 KCNA3 (0.72) KCNA3CA12CA1CA9MAOB
SCHEMBL3909794 0.81 KDM4E (0.56) KCNA3NQO1CYP19A1
SCHEMBL13842107 0.81 KCNA3 (0.47) KCNA3CA12CA1CA9MAOB
SCHEMBL24522862 0.81 CA12 (0.48) KCNA3CA12CA1CA9MAOB
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 19 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
US-7538233-B2 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-05-26 — — US 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
US-12163161-B2 In vitro method for identifying thoracic aortic aneurysms (TAA) in a subject CENTRO NACIONAL DE INVESTIGACIONES CARDIOVASCULARES CARLOS III (F.S.P.) (ES) 2024-12-10 — — US disclosed
EP-3427061-B1 USE OF SELECTIVE INOS INHIBITORS FOR TREATING THORACIC AORTIC ANEURYSM CENTRO NAC DE INVESTIGACIONES CARDIOVASCULARES CARLOS III F S P (ES) 2023-12-06 — — EP disclosed
US-20210363501-A1 IN VITRO METHOD FOR IDENTIFYING THORACIC AORTIC ANEURYSMS (TAA) IN A SUBJECT CENTRO NAC DE INVESTIGACIONES CARDIOVASCULARES CARLOS III F S P (ES) 2021-11-25 — — US disclosed
US-10907135-B2 In vitro method for identifying thoracic aortic aneurysms (TAA) in a subject CENTRO NACIONAL DE INVESTIGACIONES CARDIOVASCULARES CARLOS III (F.S.P.) (ES) 2021-02-02 — — US disclosed
US-20190112582-A1 IN VITRO METHOD FOR IDENTIFYING THORACIC AORTIC ANEURYSMS (TAA) IN A SUBJECT CENTRO NACIONAL DE INVESTIGACIONES CARDIOVASCULARES CARLOS III (F.S.P.) (ES) 2019-04-18 — — US disclosed
EP-3427061-A1 IN VITRO METHOD FOR IDENTIFYING THORACIC AORTIC ANEURYSMS (TAA) IN A SUBJECT Centro Nacional de Investigaciones Cardiovasculares Carlos III (F.S.P.) (ES) 2019-01-16 — — EP disclosed
WO-2017153023-A1 IN VITRO METHOD FOR IDENTIFYING THORACIC AORTIC ANEURYSMS (TAA) IN A SUBJECT CNIC FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES CARDIOVASCULARES CARLOS III (ES) 2017-09-14 — — WO disclosed
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 3807/4885CA12 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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