SCHEMBL3914083

SCHEMBL3914083

CNC(=S)NCCCOc1cc(=O)oc2ccc(Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.38
▸ NQO1 P15559 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MGAM O43451 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36

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
SCHEMBL3922173 0.85 GFER (0.49) KCNA3ALDH1A1KDM4ELMNAMEN1
SCHEMBL3921302 0.85 KCNA3 (0.57) KCNA3MEN1KMT2A
SCHEMBL3913361 0.85 ALDH1A1 (0.47) KCNA3ALDH1A1NQO1KDM4EPOLB
SCHEMBL3913362 0.82 KCNA3 (0.42) KCNA3ALDH1A1NQO1KDM4EPOLB
Trifluoroacetic Acid SCHEMBL3910499 0.80 ALDH1A1 (0.51) KCNA3ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3922183 0.79 KCNA3 (0.43) KCNA3ALDH1A1KDM4EPOLBLMNA
SCHEMBL3920133 0.78 TSHR (0.46) ALDH1A1LMNASMN1; SMN2KMT2ATSHR
Trifluoroacetic Acid SCHEMBL3912558 0.76 HTR2C (0.39) KCNA3ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3911254 0.76 KCNA3 (0.49) KCNA3ALDH1A1NQO1POLBTSHR
SCHEMBL3915208 0.76 KCNA3 (0.46) KCNA3ALDH1A1KDM4EPOLBSMN1; SMN2

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 10 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
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 169/4885NQO1 42/4885

“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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