SCHEMBL4769077

SCHEMBL4769077

COc1cc(OC)c(-c2cc3ccccc3c(Cl)n2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HCRTR1 O43613 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HSP90AA1 P07900 3/20 0.41
HSP90AB1 P08238 2/20 0.41
ACACA Q13085 1/20 0.40
NQO1 P15559 1/20 0.40
RAC1 P63000 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
NQO2 P16083 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4773825 0.86 HSP90AA1 (0.56) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL4765203 0.84 MEN1 (0.55) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL4774988 0.84 CYP2D6 (0.53) MEN1KMT2AKDM4EALDH1A1NQO1
SCHEMBL4766383 0.81 ADORA2A (0.46) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL4771340 0.81 KMT2A (0.61) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL13316853 0.74 CYP1A2 (0.40) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL4772286 0.74 CASP3 (0.48) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL4763954 0.74 NPC1 (0.58) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL7593190 0.73 NPC1 (0.57) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL4773101 0.72 HSP90AA1 (0.51) MEN1KMT2AKDM4EMAPTALDH1A1

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 1240/4885KDM4E 1050/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MEN1 1171/4885KMT2A 1300/4885KDM4E 1058/4885

“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.