SCHEMBL3914736

SCHEMBL3914736

NCCCCCOc1cc(=O)oc2ccc(Cl)cc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.43
▸ MAOB P27338 7/20 0.42
▸ HRH3 Q9Y5N1 6/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ PRKDC P78527 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA9 Q16790 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
SCHEMBL3920121 0.99 KCNA3 (0.51) KCNA3SIGMAR1MAOBHRH3BCHE
SCHEMBL3911254 0.95 KCNA3 (0.49) KCNA3MAOBALDH1A1PRKDCPOLB
SCHEMBL3915228 0.91 KCNA3 (0.47) KCNA3MAOBALDH1A1PRKDCPOLB
Trifluoroacetic Acid SCHEMBL3925125 0.90 KCNA3 (0.45) KCNA3SIGMAR1MAOBALDH1A1CA12
Trifluoroacetic Acid SCHEMBL3923252 0.89 KCNA3 (0.46) KCNA3SIGMAR1MAOBALDH1A1CA12
Trifluoroacetic Acid SCHEMBL3913356 0.85 HTR2C (0.45) KCNA3MAOBALDH1A1TSHR
SCHEMBL3913237 0.83 KCNA3 (0.46) KCNA3MAOBALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL5728404 0.81 HTR2C (0.44) KCNA3MAOBALDH1A1TSHR
SCHEMBL3915208 0.81 KCNA3 (0.46) KCNA3SIGMAR1ALDH1A1POLB
SCHEMBL3913361 0.81 ALDH1A1 (0.47) KCNA3MAOBALDH1A1PRKDCPOLB

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 3807/4885SIGMAR1 1739/4885MAOB 280/4885

“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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