SCHEMBL4773892

SCHEMBL4773892

Brc1csc(C2CCOCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.35
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAOA P21397 3/20 0.31
KDM1A O60341 2/20 0.31
MAOB P27338 1/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
BLM P54132 1/20 0.31
KDM5B Q9UGL1 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL13160120 0.73 DAO (0.35) DAOMAOAKDM1AKDM5B
SCHEMBL3662024 0.72 DAO (0.43) DAOMAOAKDM1AMAOB
SCHEMBL24270199 0.70 DAO (0.37) DAOMAOAKDM1AMAOBMAPT
SCHEMBL25857785 0.68 MAOA (0.43) MEN1KMT2AMAOAKDM1AMAOB
SCHEMBL27572501 0.67
SCHEMBL3921824 0.67 CHRM4 (0.35) DAO
SCHEMBL2020874 0.65 KDM1A (0.51) MAOAKDM1AMAOBMAPTLMNA
SCHEMBL19280233 0.64 KDM1A (0.47) MEN1KMT2AKDM1AMAPTLMNA
SCHEMBL20288298 0.64 KDM1A (0.57) MEN1KMT2AMAOAKDM1ALMNA
SCHEMBL454997 0.64 MAPT (0.43) MEN1KMT2AGAAKDM4EMAPT

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 DAO 4146/4885MEN1 786/4885KMT2A 1240/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 DAO 2424/4885MEN1 1171/4885KMT2A 1300/4885

“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.