SCHEMBL4774063

SCHEMBL4774063

CCCC[Sn](CCCC)(CCCC)c1ccc(OCCCOC2CCCCO2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
HRH3 Q9Y5N1 3/20 0.37
KCNH2 Q12809 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
CYP1A2 P05177 2/20 0.35
MAPK1 P28482 2/20 0.35
LTA4H P09960 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
HTR2A P28223 1/20 0.35
SCN1A P35498 1/20 0.35
HTR2B P41595 1/20 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
SCHEMBL12126612 0.80 MEN1 (0.64) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL2738489 0.78 MEN1 (0.51) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL12768357 0.77 MEN1 (0.68) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL12768696 0.77 MEN1 (0.68) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL15460111 0.77 MEN1 (0.68) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL13572536 0.77 MEN1 (0.68) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL4774827 0.77 MEN1 (0.64) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL13531288 0.77 MEN1 (0.68) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL24252303 0.75 MEN1 (0.49) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL4173315 0.75 MEN1 (0.48) MEN1KMT2ANPC1RAB9AKDM4C

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 MEN1 786/4885KMT2A 1240/4885NPC1 4578/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MEN1 1171/4885KMT2A 1300/4885NPC1 4576/4885

“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.