SCHEMBL3909739

SCHEMBL3909739

Cc1cc2oc(=O)cc(OCCCN)c2cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.45
▸ KDM4E B2RXH2 9/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.40
▸ HPGD P15428 4/20 0.40
▸ MAOA P21397 2/20 0.40
▸ MAOB P27338 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ GLA P06280 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 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 SCHEMBL3913954 0.89 KCNA3 (0.40) KCNA3KDM4ECYP1A2CYP2C19ALDH1A1
SCHEMBL3913784 0.83 CSF1R (0.43) KCNA3KDM4ECYP1A2CYP2C19ALDH1A1
SCHEMBL3918826 0.83 KCNA3 (0.49) KCNA3KDM4EALDH1A1HPGDMAOB
SCHEMBL3909794 0.78 KDM4E (0.56) KCNA3KDM4EALDH1A1HPGDMAOA
SCHEMBL3915220 0.78 CYP19A1 (0.60) KCNA3KDM4EALDH1A1HPGDHDAC1
SCHEMBL3912517 0.78 KCNA3 (0.72) KCNA3MAOBCA12CA1CA9
SCHEMBL3911254 0.77 KCNA3 (0.49) KCNA3ALDH1A1MAOBPOLBCA12
SCHEMBL3918101 0.77 KCNA3 (0.49) KCNA3MAOBCA12CA1CA9
SCHEMBL3920158 0.77 PIM1 (0.50) KCNA3KDM4EMAOBHSD17B10CA12
Hydrochloric Acid SCHEMBL3913941 0.77 KCNA3 (0.70) KCNA3MAOBCA12CA1CA9

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 3807/4885KDM4E 3645/4885CYP1A2 6/4885

“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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