SCHEMBL9966872

SCHEMBL9966872

NC(=O)c1ccc(OC2CCc3cc(Cl)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.47
KDM4C Q9H3R0 2/20 0.47
KDM5B Q9UGL1 1/20 0.47
PARP10 Q53GL7 8/20 0.47
SLC6A4 P31645 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAP4K4 O95819 1/20 0.41
NTRK1 P04629 2/20 0.40
PARP15 Q460N3 6/20 0.40
PARP2 Q9UGN5 3/20 0.40
FFAR1 O14842 1/20 0.39
PARP1 P09874 1/20 0.39
PARP14 Q460N5 3/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP16 Q8N5Y8 1/20 0.38
PARP11 Q9NR21 1/20 0.38
PARP4 Q9UKK3 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL9966871 0.88 KDM5A (0.55) KDM5AKDM4CKDM5BSLC6A4SENP8
SCHEMBL12019265 0.82 FFAR1 (0.47) KDM5AKDM4CKDM5BSLC6A4FFAR1
SCHEMBL9964443 0.82 SLC6A4 (0.42) KDM5AKDM4CKDM5BSLC6A4NTRK1
SCHEMBL1746551 0.82 KDM5A (0.41) KDM5AKDM4CKDM5BSLC6A4NTRK1
SCHEMBL1745475 0.78 FFAR1 (0.50) KDM5AKDM4CKDM5BSLC6A4FFAR1
SCHEMBL9964442 0.78 KDM5A (0.44) KDM5AKDM4CKDM5BSLC6A4FFAR1
SCHEMBL1746743 0.76 KDM5A (0.40) KDM5AKDM4CKDM5BSLC6A4FFAR1
SCHEMBL24665460 0.74 TAS1R3 (0.52) KMT2ASRD5A1
SCHEMBL22652291 0.74 TAS1R3 (0.52) KMT2ASRD5A1
SCHEMBL1746947 0.73 ACACB (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.