SCHEMBL4036846

SCHEMBL4036846

CCCCCOC(=O)Nc1c(-c2ccccc2)noc1C

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
NPSR1 Q6W5P4 2/20 0.50
SCN5A Q14524 2/20 0.49
SCN9A Q15858 2/20 0.49
TSHR P16473 4/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
NTRK1 P04629 2/20 0.48
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 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
SCHEMBL4032493 0.85 NPSR1 (0.47) GAANPSR1SCN5ASCN9ATSHR
SCHEMBL4036879 0.85 NPSR1 (0.56) NPSR1SCN5ASCN9ATSHRMAPT
SCHEMBL4038287 0.84 NPSR1 (0.55) NPSR1SCN5ASCN9ATSHRMAPT
SCHEMBL4034765 0.82 NPSR1 (0.58) NPSR1SCN5ASCN9ATSHRMAPT
SCHEMBL4033294 0.82 SCN9A (0.53) NPSR1SCN5ASCN9ATSHRMAPT
SCHEMBL4209531 0.81 NPSR1 (0.53) GAANPSR1SCN5ASCN9ATSHR
SCHEMBL13347700 0.80 EPHX1 (0.49) TSHRALDH1A1
SCHEMBL4029460 0.78 NPSR1 (0.61) GAANPSR1TSHRMAPTNTRK1
SCHEMBL1246454 0.77 NPSR1 (0.48) NPSR1SCN5ASCN9ATSHRMAPT
SCHEMBL4029218 0.76 SCN9A (0.52) NPSR1SCN5ASCN9ATSHRMAPT

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 GAA 4229/4885NPSR1 194/4885SCN5A 3149/4885

“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.