SCHEMBL9964442

SCHEMBL9964442

O=C(O)C#Cc1ccc(OC2CCc3cc(Cl)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
KDM5B Q9UGL1 1/20 0.44
SLC6A4 P31645 1/20 0.40
FFAR1 O14842 12/20 0.39
LRRK2 Q5S007 2/20 0.38
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
SRD5A1 P18405 1/20 0.35

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
SCHEMBL9964443 0.90 SLC6A4 (0.42) KDM5AKDM4CKDM5BSLC6A4FFAR1
SCHEMBL12004723 0.85 FFAR1 (0.42) KDM5AKDM4CKDM5BSLC6A4FFAR1
SCHEMBL9966871 0.82 KDM5A (0.55) KDM5AKDM4CKDM5BSLC6A4FFAR1
SCHEMBL9966872 0.78 KDM5A (0.47) KDM5AKDM4CKDM5BSLC6A4FFAR1
SCHEMBL1745475 0.77 FFAR1 (0.50) KDM5AKDM4CKDM5BSLC6A4FFAR1
SCHEMBL12076187 0.76 FFAR1 (0.53) FFAR1
SCHEMBL1746551 0.74 KDM5A (0.41) KDM5AKDM4CKDM5BSLC6A4FFAR1
SCHEMBL12019265 0.74 FFAR1 (0.47) KDM5AKDM4CKDM5BSLC6A4FFAR1
SCHEMBL14567331 0.73 FFAR1 (0.75) FFAR1
SCHEMBL13616818 0.73 FFAR1 (0.75) FFAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
EP-2495238-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-09-05 EP disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US 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-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 KDM5A 3166/4885KDM4C 3758/4885KDM5B 3387/4885

“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.