SCHEMBL4774345

SCHEMBL4774345

CS(=O)(=O)c1ccc(-c2cc3ccccc3c(N3CCN(C=O)CC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.47
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
PKN2 Q16513 1/20 0.42
HDAC6 Q9UBN7 1/20 0.39
PTGS2 P35354 5/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4766020 0.86 GBA1 (0.43) GBA1ROCK2ROCK1PKN2KDM4E
SCHEMBL4774138 0.85 GBA1 (0.46) GBA1ROCK2ROCK1PKN2KDM4E
SCHEMBL4774328 0.85 GBA1 (0.43) GBA1ROCK2ROCK1PKN2KDM4E
SCHEMBL4774464 0.85 ROCK2 (0.58) GBA1ROCK2ROCK1PKN2KDM4E
Hydrochloric Acid SCHEMBL4772953 0.84 GBA1 (0.46) GBA1ROCK2ROCK1PKN2KDM4E
SCHEMBL4772049 0.83 LMNA (0.47) GBA1KDM4EALDH1A1MAPTMAPK1
SCHEMBL4774166 0.83 ROCK2 (0.43) GBA1ROCK2ROCK1PKN2KDM4E
SCHEMBL14102714 0.81 ROCK2 (0.43) GBA1ROCK2ROCK1PKN2KDM4E
SCHEMBL4766376 0.80 KMT2A (0.46) GBA1KDM4EALDH1A1MAPT
SCHEMBL4763994 0.76 GBA1 (0.46) GBA1ROCK2ROCK1PKN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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 (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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 GBA1 4305/4885ROCK2 3313/4885ROCK1 2976/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 GBA1 4235/4885ROCK2 1825/4885ROCK1 1087/4885

“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.