SCHEMBL19294366

SCHEMBL19294366

COCC(=O)c1csc(-c2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
TDP1 Q9NUW8 2/20 0.54
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
ECE1 P42892 2/20 0.51
HPGDS O60760 4/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR7 Q9NYK1 2/20 0.50
MAPT P10636 1/20 0.49
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL17742732 0.83 HDAC1 (0.60) HDAC1HDAC8HDAC6TDP1CYP1A2
SCHEMBL12279458 0.80 MAOA (0.65) HDAC1HDAC8HDAC6TDP1CYP1A2
SCHEMBL722692 0.79 HPGD (0.64) HDAC1HDAC8HDAC6TDP1CYP1A2
SCHEMBL5753728 0.78 HDAC1 (0.55) HDAC1HDAC8HDAC6TDP1CYP1A2
SCHEMBL1574742 0.78 HDAC1 (0.66) HDAC1HDAC8HDAC6TDP1CYP1A2
SCHEMBL27768678 0.77 HDAC1 (0.70) HDAC1HDAC8HDAC6TDP1CYP1A2
SCHEMBL352152 0.77 HPGDS (0.73) HDAC1HDAC8HDAC6TDP1CYP1A2
SCHEMBL10445336 0.77 HDAC1 (0.56) HDAC1HDAC8HDAC6TDP1CYP1A2
SCHEMBL2080725 0.77 RAB9A (0.68) HDAC1HDAC8HDAC6TDP1CYP1A2
SCHEMBL1683935 0.76 PLA2G4A (0.56) HDAC1HDAC8HDAC6TDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247395-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY 2017-08-31 US disclosed
US-20170247395-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY 2017-08-31 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-20170247395-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, TMPRSS4, F2R HDAC1 991/4885HDAC8 1321/4885HDAC6 1449/4885

“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.