SCHEMBL4033296

SCHEMBL4033296

Cc1onc(-c2ccccc2)c1NC(=O)OC(C)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.61
MAPT P10636 1/20 0.51
ALDH1A1 P00352 1/20 0.51
NTRK1 P04629 2/20 0.48
LPAR1 Q92633 1/20 0.47
LPAR3 Q9UBY5 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
GABRA5 P31644 1/20 0.44

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
SCHEMBL11895520 0.91 LPAR1 (0.56) NPSR1MAPTALDH1A1NTRK1LPAR1
SCHEMBL4209531 0.85 NPSR1 (0.53) NPSR1MAPTALDH1A1NTRK1LPAR1
SCHEMBL4032557 0.83 LPAR1 (0.67) NPSR1MAPTALDH1A1NTRK1LPAR1
SCHEMBL4028365 0.83 LPAR1 (0.67) NPSR1MAPTALDH1A1NTRK1LPAR1
SCHEMBL4031106 0.83 LPAR1 (0.67) NPSR1MAPTALDH1A1NTRK1LPAR1
SCHEMBL4034765 0.82 NPSR1 (0.58) NPSR1MAPTALDH1A1NTRK1TSHR
SCHEMBL4034577 0.81 LPAR1 (0.52) NPSR1MAPTALDH1A1NTRK1LPAR1
SCHEMBL4036879 0.80 NPSR1 (0.56) NPSR1MAPTALDH1A1NTRK1TSHR
SCHEMBL4038287 0.79 NPSR1 (0.55) NPSR1MAPTALDH1A1NTRK1TP53
SCHEMBL4031194 0.79 LPAR1 (0.50) NPSR1MAPTALDH1A1NTRK1LPAR1

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 5 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
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 194/4885MAPT 4681/4885ALDH1A1 1093/4885

“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.