SCHEMBL9964443

SCHEMBL9964443

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.42
KDM5A P29375 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM5B Q9UGL1 1/20 0.41
LRRK2 Q5S007 3/20 0.37
FFAR1 O14842 6/20 0.37
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
NTRK1 P04629 1/20 0.35
SRD5A1 P18405 3/20 0.34
SRD5A2 P31213 1/20 0.33

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
SCHEMBL9964442 0.90 KDM5A (0.44) SLC6A4KDM5AKDM4CKDM5BLRRK2
SCHEMBL12004723 0.84 FFAR1 (0.42) SLC6A4KDM5AKDM4CKDM5BLRRK2
SCHEMBL9966872 0.82 KDM5A (0.47) SLC6A4KDM5AKDM4CKDM5BFFAR1
SCHEMBL9966871 0.78 KDM5A (0.55) SLC6A4KDM5AKDM4CKDM5BFFAR1
SCHEMBL1746551 0.77 KDM5A (0.41) SLC6A4KDM5AKDM4CKDM5BFFAR1
SCHEMBL1745475 0.74 FFAR1 (0.50) SLC6A4KDM5AKDM4CKDM5BFFAR1
SCHEMBL12019265 0.73 FFAR1 (0.47) SLC6A4KDM5AKDM4CKDM5BFFAR1
SCHEMBL1746743 0.71 KDM5A (0.40) SLC6A4KDM5AKDM4CKDM5BFFAR1
SCHEMBL1747113 0.70 SLC6A4 (0.41) SLC6A4KDM5AKDM4CKDM5BLRRK2
SCHEMBL22992655 0.70 FFAR1 (0.56) SLC6A4KDM5AKDM4CKDM5BFFAR1

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 3 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
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 SLC6A4 2310/4885KDM5A 3166/4885KDM4C 3758/4885

“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.