SCHEMBL20445784

SCHEMBL20445784

NC(CCO)c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
AOC3 Q16853 1/20 0.41
GBA1 P04062 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
CFD P00746 1/20 0.39
TPSB2 P20231 1/20 0.39
CNR2 P34972 1/20 0.39
CYP19A1 P11511 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
SCHEMBL20445783 1.00 HDAC4 (0.42) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL25196113 0.89 HDAC4 (0.40) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL25196114 0.89 HDAC4 (0.40) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL30800833 0.85 HDAC4 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL30559591 0.85 HDAC4 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL8513883 0.85 HDAC4 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL432890 0.85 HDAC4 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL1464027 0.85 HDAC4 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL30818125 0.85 HDAC4 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL11084543 0.85 TAAR1 (0.47) HDAC4HDAC7HDAC5IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345678-B2 Benzopyrazole compound used as RHO kinase inhibitor MEDSHINE DISCOVERY INC. (CN) 2022-05-31 US disclosed
US-20210371393-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2021-12-02 US disclosed
EP-3356348-B1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LTD (GB) 2021-05-05 EP disclosed
EP-3782987-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR Medshine Discovery Inc. (CN) 2021-02-24 EP disclosed
CN-108473472-B 2-aminoquinazoline derivatives as P70S6kinase inhibitors 圣提内尔肿瘤学有限公司 2021-02-12 CN disclosed
US-10730882-B2 2-aminoquinazoline derivatives as P70S6 kinase inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2020-08-04 US disclosed
WO-2019201297-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR 南京明德新药研发有限公司 2019-10-24 WO disclosed
WO-2019201296-A1 PYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR 南京明德新药研发有限公司 2019-10-24 WO disclosed
US-20190292195-A1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2019-09-26 US disclosed
US-10344033-B2 2-aminoquinazoline derivatives as P70S6 kinase inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2019-07-09 US disclosed
US-20180370975-A1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2018-12-27 US disclosed
EP-3356348-A1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS Sentinel Oncology Limited (GB) 2018-08-08 EP 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 (6 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-20190292195-A1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS RPS6KA1, MTOR, RPTOR HDAC4 1387/4885HDAC7 1211/4885HDAC5 800/4885
US-20180370975-A1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS RPS6KA1, MTOR, RPTOR HDAC4 1387/4885HDAC7 1211/4885HDAC5 800/4885
US-10344033-B2 2-aminoquinazoline derivatives as P70S6 kinase inhibitors RPS6KA1, MTOR, RPTOR HDAC4 1387/4885HDAC7 1211/4885HDAC5 800/4885
US-11345678-B2 Benzopyrazole compound used as RHO kinase inhibitor ROCK1, ROCK2, CIT HDAC4 1036/4885HDAC7 614/4885HDAC5 600/4885
US-10730882-B2 2-aminoquinazoline derivatives as P70S6 kinase inhibitors RPS6KA1, MTOR, RPTOR HDAC4 1387/4885HDAC7 1211/4885HDAC5 800/4885
US-20210371393-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR ROCK1, ROCK2, CIT HDAC4 1036/4885HDAC7 614/4885HDAC5 600/4885

“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.