SCHEMBL3918140

SCHEMBL3918140

O=C(NCCCOc1cc(=O)oc2ccc(Cl)cc12)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ POLB P06746 1/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ NAMPT P43490 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ EPHX2 P34913 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.45
▸ TSHR P16473 1/20 0.45

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 SCHEMBL3919734 0.95 HPGD (0.47) HPGDSMN1; SMN2POLBKMT2AMEN1
SCHEMBL3920133 0.88 TSHR (0.46) HPGDSMN1; SMN2KMT2AALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL3911182 0.83 RHOC (0.42) TSHR
SCHEMBL3913226 0.75 SLC6A4 (0.51) ALDH1A1TSHR
SCHEMBL3914083 0.75 KCNA3 (0.40) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL3913361 0.75 ALDH1A1 (0.47) SMN1; SMN2POLBALDH1A1LMNATSHR
Trifluoroacetic Acid SCHEMBL3923215 0.74 LRRK2 (0.44) HPGDSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL10674299 0.74 POLB (0.58) SMN1; SMN2POLBKMT2AMEN1NPC1
SCHEMBL3913237 0.73 KCNA3 (0.46) HPGDSMN1; SMN2KMT2AMEN1GAA
Trifluoroacetic Acid SCHEMBL3910499 0.72 ALDH1A1 (0.51) SMN1; SMN2KMT2AMEN1GAAALDH1A1

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 HPGD 36/4885SMN1; SMN2 4820/4885POLB 3837/4885

“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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