SCHEMBL4036879

SCHEMBL4036879

Cc1onc(-c2ccccc2)c1NC(=O)OCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 2/20 0.52
MGLL Q99685 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SCN9A Q15858 3/20 0.50
SCN5A Q14524 2/20 0.50
MAPT P10636 2/20 0.49
NTRK1 P04629 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ATM Q13315 1/20 0.47
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ROCK2 O75116 1/20 0.46
NPC1 O15118 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
SCHEMBL1246454 0.91 NPSR1 (0.48) NPSR1ALDH1A1MGLLL3MBTL1SCN9A
SCHEMBL1247418 0.90 LPAR1 (0.48) NPSR1ALDH1A1MGLLL3MBTL1SCN9A
SCHEMBL1247169 0.89 MGLL (0.52) NPSR1ALDH1A1MGLLL3MBTL1SCN9A
SCHEMBL4034765 0.88 NPSR1 (0.58) NPSR1ALDH1A1MGLLSCN9ASCN5A
SCHEMBL4033294 0.87 SCN9A (0.53) NPSR1ALDH1A1SCN9ASCN5AMAPT
SCHEMBL1246583 0.87 LPAR1 (0.49) NPSR1ALDH1A1MGLLL3MBTL1SCN9A
SCHEMBL1247342 0.87 SCN9A (0.46) NPSR1ALDH1A1MGLLL3MBTL1SCN9A
SCHEMBL1246371 0.86 NPSR1 (0.44) NPSR1ALDH1A1MGLLL3MBTL1SCN9A
SCHEMBL4038287 0.85 NPSR1 (0.55) NPSR1ALDH1A1SCN9ASCN5AMAPT
SCHEMBL4036846 0.85 GAA (0.52) NPSR1ALDH1A1SCN9ASCN5AMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6964975-B2 Isoxazole and thiazole compounds and use thereof as medicine KIRIN BEER KABUSHIKI KAISHA (JP) 2005-11-15 US claimed
EP-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP disclosed
EP-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP disclosed
US-6964975-B2 Isoxazole and thiazole compounds and use thereof as medicine KIRIN BEER KABUSHIKI KAISHA (JP) 2005-11-15 US disclosed
US-20030114505-A1 Novel isoxazole and thiazole compounds and use thereof as drugs KYOWA HAKKO KIRIN CO., LTD. (JP) 2003-06-19 US disclosed
EP-1258484-A1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KIRIN BEER KABUSHIKI KAISHA (JP) 2002-11-20 EP 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-20030114505-A1 Novel isoxazole and thiazole compounds and use thereof as drugs LPAR3, LPAR1, LPAR4 NPSR1 194/4885ALDH1A1 1093/4885MGLL 461/4885

“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.