SCHEMBL22320232

SCHEMBL22320232

C[CH]C(C)c1sc2ccc(Cl)cc2c1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.46
CYP2A6 P11509 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.37
AKR1B1 P15121 1/20 0.37
PFKFB3 Q16875 3/20 0.36
PFKFB4 Q16877 2/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
SLC2A1 P11166 1/20 0.36
CMA1 P23946 3/20 0.35

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
SCHEMBL8303440 0.83 ROCK1 (0.50) ROCK1CYP2A6NPSR1L3MBTL1MAPT
SCHEMBL8299998 0.78 ROCK1 (0.46) ROCK1CYP2A6NPSR1L3MBTL1MAPT
SCHEMBL7567350 0.77 ROCK1 (0.44) ROCK1CYP2A6NPSR1L3MBTL1MAPT
SCHEMBL22320228 0.77 GPR3 (0.40) ROCK1MAPTKDM4E
SCHEMBL5250330 0.76 ROCK1 (0.43) ROCK1CYP2A6NPSR1L3MBTL1MAPT
SCHEMBL8295552 0.72 ROCK1 (0.56) ROCK1CYP2A6NPSR1L3MBTL1MAPT
SCHEMBL12954833 0.69 ROCK1 (0.53) ROCK1CYP2A6NPSR1L3MBTL1MAPT
SCHEMBL2824862 0.69 ROCK1 (0.53) ROCK1CYP2A6NPSR1L3MBTL1MAPT
SCHEMBL2953458 0.69 ROCK1 (0.49) ROCK1CYP2A6NPSR1L3MBTL1MAPT
SCHEMBL1254005 0.69 ROCK1 (0.49) ROCK1CYP2A6NPSR1L3MBTL1MAPT

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-11629138-B2 Microbiocidal picolinamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2023-04-18 US disclosed
EP-3692029-B1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2023-04-12 EP disclosed
US-20200255400-A1 Microbiocidal Picolinamide Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-08-13 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 (2 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-20200255400-A1 Microbiocidal Picolinamide Derivatives PRF1, CASP1, FPR1 ROCK1 3723/4885CYP2A6 622/4885NPSR1 888/4885
US-11629138-B2 Microbiocidal picolinamide derivatives PRF1, CASP1, FPR1 ROCK1 3723/4885CYP2A6 622/4885NPSR1 888/4885

“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.