SCHEMBL4036272

SCHEMBL4036272

Cc1onc(-c2ccccc2)c1NC(=O)OC1CCc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
ROCK2 O75116 1/20 0.44
NTRK1 P04629 2/20 0.42
TSHR P16473 3/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRA5 P31644 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL4030960 0.84 FAAH (0.52) MAPTNPSR1NTRK1TSHRHTT
SCHEMBL4036836 0.83 MAPT (0.45) MAPTNPSR1ROCK2NTRK1TSHR
SCHEMBL15397677 0.75 ALOX5AP (0.40) MAPTNPSR1ROCK2NTRK1TSHR
SCHEMBL18060520 0.74 TSHR (0.40) MAPTNPSR1ROCK2TSHRHTT
SCHEMBL4029460 0.74 NPSR1 (0.61) MAPTNPSR1NTRK1TSHRHTT
Bicarbonate SCHEMBL18060550 0.73 LPAR1 (0.39) MAPTNPSR1ROCK2NTRK1TSHR
SCHEMBL4028365 0.72 LPAR1 (0.67) MAPTNPSR1NTRK1TSHRHTT
SCHEMBL4032557 0.72 LPAR1 (0.67) MAPTNPSR1NTRK1TSHRHTT
SCHEMBL4031106 0.72 LPAR1 (0.67) MAPTNPSR1NTRK1TSHRHTT
SCHEMBL11896410 0.72 SCN9A (0.39) MAPTNPSR1ROCK2TSHRHTT

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 MAPT 4681/4885NPSR1 194/4885ROCK2 1257/4885

“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.