SCHEMBL4033294

SCHEMBL4033294

Cc1ccccc1CCOC(=O)Nc1c(-c2ccccc2)noc1C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.53
SCN5A Q14524 4/20 0.53
NTRK1 P04629 2/20 0.51
TSHR P16473 2/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.45
ATM Q13315 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 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
SCHEMBL1246325 0.90 SCN9A (0.46) SCN9ASCN5ANTRK1TSHRHTT
SCHEMBL4036879 0.87 NPSR1 (0.56) SCN9ASCN5ANTRK1TSHRHTT
SCHEMBL1247566 0.83 SCN9A (0.59) SCN9ASCN5ANTRK1NPSR1MAPT
SCHEMBL1247206 0.82 SCN9A (0.61) SCN9ASCN5ANTRK1HTTNPSR1
SCHEMBL4036846 0.82 GAA (0.52) SCN9ASCN5ANTRK1TSHRHTT
SCHEMBL4038287 0.82 NPSR1 (0.55) SCN9ASCN5ANTRK1TSHRHTT
SCHEMBL1245064 0.81 SCN9A (0.48) SCN9ASCN5ANTRK1NPSR1MAPT
SCHEMBL1245362 0.81 SCN9A (0.57) SCN9ASCN5ANTRK1NPSR1MAPT
SCHEMBL1245322 0.81 SCN9A (0.57) SCN9ASCN5ANTRK1NPSR1MAPT
SCHEMBL1245296 0.81 SCN9A (0.55) SCN9ASCN5ANTRK1NPSR1MAPT

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 SCN9A 3060/4885SCN5A 3149/4885NTRK1 1321/4885

“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.