SCHEMBL4030960

SCHEMBL4030960

Cc1onc(-c2ccccc2)c1NC(=O)OC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.52
MGLL Q99685 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NTRK1 P04629 2/20 0.48
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
GABRA5 P31644 2/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
Bicarbonate SCHEMBL18060550 0.84 LPAR1 (0.39) FAAHMGLLNPSR1MAPTSMN1; SMN2
SCHEMBL4036272 0.84 MAPT (0.45) NPSR1MAPTSMN1; SMN2NTRK1ALDH1A1
SCHEMBL1247376 0.82 LPAR1 (0.58) FAAHMGLLNPSR1MAPTSMN1; SMN2
SCHEMBL4036836 0.79 MAPT (0.45) NPSR1MAPTNTRK1ALDH1A1TSHR
SCHEMBL5539079 0.78 ATM (0.56) NPSR1MAPTNTRK1ALDH1A1TSHR
SCHEMBL4029460 0.78 NPSR1 (0.61) NPSR1MAPTSMN1; SMN2NTRK1ALDH1A1
SCHEMBL4034765 0.75 NPSR1 (0.58) MGLLNPSR1MAPTSMN1; SMN2NTRK1
SCHEMBL5527223 0.74 MEN1 (0.61) NPSR1MAPTSMN1; SMN2NTRK1ALDH1A1
SCHEMBL4032557 0.74 LPAR1 (0.67) NPSR1MAPTNTRK1ALDH1A1TSHR
SCHEMBL4028365 0.74 LPAR1 (0.67) NPSR1MAPTNTRK1ALDH1A1TSHR

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 7 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
US-20120196839-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2012-08-02 US disclosed
WO-2011017350-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
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 (2 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-20120196839-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 FAAH 213/4885MGLL 62/4885NPSR1 188/4885
US-20030114505-A1 Novel isoxazole and thiazole compounds and use thereof as drugs LPAR3, LPAR1, LPAR4 FAAH 1805/4885MGLL 461/4885NPSR1 194/4885

“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.