SCHEMBL4764443

SCHEMBL4764443

CCOC/C=C/c1ccc(Br)cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.39
CTH P32929 1/20 0.35
RAB9A P51151 4/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.31
MEN1 O00255 1/20 0.31
S1PR4 O95977 1/20 0.31
LMNA P02545 1/20 0.31
S1PR1 P21453 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 3/20 0.30
NPC1 O15118 2/20 0.30
ALDH1A1 P00352 2/20 0.30
ABCB1 P08183 1/20 0.30
ATM Q13315 1/20 0.30
MAOB P27338 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4764448 1.00 GBA1 (0.39) GBA1CTHRAB9AMAPTMAPK1
SCHEMBL4763690 0.87 GBA1 (0.37) GBA1CTHRAB9ANPC1
SCHEMBL4763687 0.79 CTH (0.35) GBA1CTHALDH1A1
SCHEMBL1853873 0.73 CTH (0.36) GBA1CTHRAB9AKDM4ENPC1
SCHEMBL4770537 0.73 CTH (0.40) GBA1CTHRAB9ALMNAKDM4E
SCHEMBL4770533 0.73 CTH (0.40) GBA1CTHRAB9ALMNAKDM4E
SCHEMBL13699261 0.72 NPC1 (0.52) RAB9AMAPTMAPK1MEN1KMT2A
SCHEMBL17103207 0.72 GBA1 (0.47) GBA1CTHRAB9AMAPTMAPK1
SCHEMBL20153734 0.72 TUBB4A (0.47) MAPT
SCHEMBL29187008 0.70 GBA1 (0.38) GBA1CTHRAB9AMAPTKDM4E

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 8 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
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 4305/4885CTH 1362/4885RAB9A 2421/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 GBA1 4235/4885CTH 869/4885RAB9A 2304/4885

“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.