SCHEMBL4032674

SCHEMBL4032674

Cc1onc(-c2ccc([N+](=O)[O-])cc2)c1NC(=O)OC(C)c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 13/20 0.51
LPAR3 Q9UBY5 3/20 0.51
LPAR2 Q9HBW0 2/20 0.51
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4033262 0.88 LPAR1 (0.56) LPAR1LPAR3LPAR2SCN5ASCN9A
SCHEMBL4028917 0.88 LPAR1 (0.58) LPAR1LPAR3LPAR2SCN5ASCN9A
SCHEMBL4029085 0.88 LPAR1 (0.58) LPAR1LPAR3LPAR2SCN5ASCN9A
SCHEMBL11979371 0.88 LPAR1 (0.55) LPAR1LPAR3LPAR2SCN5ASCN9A
SCHEMBL4032127 0.87 LPAR1 (0.56) LPAR1LPAR3LPAR2SCN5ASCN9A
SCHEMBL4031803 0.85 LPAR1 (0.70) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL11896138 0.85 LPAR1 (0.57) LPAR1LPAR3LPAR2SCN5ASCN9A
SCHEMBL11896140 0.85 LPAR1 (0.57) LPAR1LPAR3LPAR2SCN5ASCN9A
SCHEMBL4029125 0.85 LPAR1 (0.60) LPAR1LPAR3LPAR2SCN5ASCN9A
SCHEMBL18060539 0.83 LPAR1 (0.56) LPAR1LPAR3LPAR2SCN5ASCN9A

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
EP-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP claimed
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 LPAR1 2/4885LPAR3 1/4885LPAR2 4/4885

“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.