SCHEMBL3920158

SCHEMBL3920158

NCCCOc1cc(=O)oc2ccc(Br)cc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.50
▸ KCNA3 P22001 1/20 0.49
▸ CA12 O43570 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ CDC7 O00311 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ CSNK2A3 Q8NEV1 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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 SCHEMBL3922171 0.89 PIM1 (0.44) PIM1KCNA3CA12CA9CA1
SCHEMBL3912454 0.86 PIM1 (0.54) PIM1KCNA3CA12CA9CA1
SCHEMBL3911254 0.83 KCNA3 (0.49) PIM1KCNA3CA12CA9CA1
SCHEMBL3918826 0.83 KCNA3 (0.49) KCNA3CA12CA9CA1MAOB
SCHEMBL3918101 0.83 KCNA3 (0.49) KCNA3CA12CA9CA1MAOB
SCHEMBL3912517 0.81 KCNA3 (0.72) KCNA3CA12CA9CA1MAOB
SCHEMBL13842107 0.81 KCNA3 (0.47) KCNA3CA12CA9CA1MAOB
SCHEMBL3909794 0.81 KDM4E (0.56) KCNA3CYP19A1KDM4EHSD17B10
SCHEMBL30537319 0.81 HDAC1 (0.56) PIM1KCNA3CA12CA9KDM4E
SCHEMBL29054863 0.81 HDAC1 (0.56) PIM1KCNA3CA12CA9KDM4E

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 21 patents — showing the first 20. 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
US-20180214430-A1 Selective Inhibitors Of i-NOS For Use Against Viral Infection UCL BUSINESS PLC (GB) 2018-08-02 — — US 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 (2 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-20180214430-A1 Selective Inhibitors Of i-NOS For Use Against Viral Infection NOS2, NOS1, NOS3 PIM1 1611/4885KCNA3 4746/4885CA12 3343/4885
US-20050054681-A1 Coumarins as iNOS inhibitors NOS2, NOS1, NOS3 PIM1 1107/4885KCNA3 3807/4885CA12 3287/4885

“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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