SCHEMBL4770591

SCHEMBL4770591

CC(C)CCCC(O)CCc1ccc(Br)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.35
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.32
LNPEP Q9UIQ6 1/20 0.32
RAB9A P51151 3/20 0.31
ALDH1A1 P00352 1/20 0.30
NPC1 O15118 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GLS O94925 1/20 0.30
ITGB3 P05106 2/20 0.30
ITGAV P06756 2/20 0.30
MCHR1 Q99705 1/20 0.30
LMNA P02545 1/20 0.30
ALOX12 P18054 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
SCHEMBL4769838 0.81 GBA1 (0.41) GBA1KDM4EMAPTRAB9AALDH1A1
SCHEMBL4765756 0.73 GBA1 (0.40) GBA1KDM4ERAB9AALDH1A1NPC1
SCHEMBL20360965 0.72 GBA1 (0.39) GBA1KDM4ERAB9AALDH1A1NPC1
SCHEMBL4764128 0.71 ALDH1A1 (0.42) GBA1KDM4ERAB9AALDH1A1NPC1
SCHEMBL14464977 0.71 GBA1 (0.43) GBA1KDM4EMAPTRAB9AALDH1A1
SCHEMBL5144435 0.71 GBA1 (0.43) GBA1KDM4EMAPTRAB9AALDH1A1
SCHEMBL30305975 0.71 GBA1 (0.43) GBA1KDM4EMAPTRAB9AALDH1A1
SCHEMBL20006272 0.70 KDM4E (0.39) GBA1KDM4ETDP1RAB9AMCHR1
SCHEMBL5344274 0.70 GBA1 (0.46) GBA1KDM4ERAB9AALDH1A1NPC1
SCHEMBL30458137 0.69 GBA1 (0.36) GBA1

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 4305/4885KDM4E 1050/4885MAPK1 1599/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 GBA1 4235/4885KDM4E 1058/4885MAPK1 1787/4885

“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.