SCHEMBL3920121

SCHEMBL3920121

NCCCCOc1cc(=O)oc2ccc(Cl)cc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ MAOB P27338 6/20 0.41
▸ HRH3 Q9Y5N1 4/20 0.41
▸ POLB P06746 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA9 Q16790 1/20 0.40

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
SCHEMBL3914736 0.99 KCNA3 (0.50) KCNA3ALDH1A1PRKDCSIGMAR1MAOB
SCHEMBL3911254 0.96 KCNA3 (0.49) KCNA3ALDH1A1PRKDCMAOBPOLB
SCHEMBL3915228 0.92 KCNA3 (0.47) KCNA3ALDH1A1PRKDCMAOBPOLB
Trifluoroacetic Acid SCHEMBL3923252 0.90 KCNA3 (0.46) KCNA3ALDH1A1SIGMAR1MAOBCA12
Trifluoroacetic Acid SCHEMBL3925125 0.89 KCNA3 (0.45) KCNA3ALDH1A1SIGMAR1MAOBCA12
Trifluoroacetic Acid SCHEMBL3913356 0.86 HTR2C (0.45) KCNA3ALDH1A1MAOBTSHR
SCHEMBL3913237 0.84 KCNA3 (0.46) KCNA3ALDH1A1MAOBTSHR
Trifluoroacetic Acid SCHEMBL5728404 0.82 HTR2C (0.44) KCNA3ALDH1A1MAOBTSHR
SCHEMBL3915208 0.82 KCNA3 (0.46) KCNA3ALDH1A1SIGMAR1POLB
SCHEMBL3913361 0.82 ALDH1A1 (0.47) KCNA3ALDH1A1PRKDCMAOBPOLB

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 11 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
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
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 3807/4885ALDH1A1 169/4885PRKDC 2073/4885

“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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