SCHEMBL1707939

SCHEMBL1707939

COC(=O)c1cccc(-n2c(SCc3ccc(Cl)cc3)nc3ccccc32)c1C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.60
TBXA2R P21731 11/20 0.60
PTGDR2 Q9Y5Y4 5/20 0.52
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
MAPT P10636 1/20 0.47

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
SCHEMBL1708020 0.82 L3MBTL1 (0.52) PTGDR2MAPT
SCHEMBL1707968 0.76 TSHR (0.47) PTGDR2
SCHEMBL1707881 0.74 TSHR (0.46) DRD2TBXA2RPTGDR2
SCHEMBL1708039 0.74 TSHR (0.45) PTGDR2
SCHEMBL10291801 0.73 DRD2 (0.41) DRD2TBXA2RPTGDR2HDAC3HDAC4
SCHEMBL1707966 0.73 ALDH1A1 (0.44) DRD2TBXA2RPTGDR2MAPT
SCHEMBL1707974 0.72 MAPK1 (0.47) MAPT
SCHEMBL4929768 0.72 PTGDR2 (0.57) DRD2TBXA2RPTGDR2
SCHEMBL1708052 0.72 ALDH1A1 (0.48) DRD2TBXA2R
SCHEMBL1708075 0.72 TSHR (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R DRD2 2216/4885TBXA2R 679/4885PTGDR2 872/4885

“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.