SCHEMBL4765203

SCHEMBL4765203

COc1ccc(-c2cc3ccccc3c(Cl)n2)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
KDM4E B2RXH2 3/20 0.55
POLB P06746 2/20 0.55
NPC1 O15118 3/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
TLR9 Q9NR96 2/20 0.49
ATM Q13315 1/20 0.49
CYP1A1 P04798 3/20 0.49
CYP1B1 Q16678 3/20 0.49
CYP17A1 P05093 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
CYP1A2 P05177 1/20 0.45
CYP2E1 P05181 1/20 0.45

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
SCHEMBL4774988 0.89 CYP2D6 (0.53) MEN1KMT2AKDM4EPOLBNPC1
SCHEMBL4773825 0.85 HSP90AA1 (0.56) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL4769077 0.84 MEN1 (0.44) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL4773101 0.83 HSP90AA1 (0.51) MEN1KMT2AKDM4EPOLBNPC1
SCHEMBL4766719 0.81 KDM4E (0.41) MEN1KMT2AKDM4EPOLBNPC1
SCHEMBL4763954 0.80 NPC1 (0.58) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL4766383 0.78 ADORA2A (0.46) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL4769223 0.77 CYP1A2 (0.48) KMT2AMAPTRAB9ASMN1; SMN2NFKB1
SCHEMBL4772286 0.77 CASP3 (0.48) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL4771500 0.76 CCR1 (0.57) NPC1MAPTRAB9ACYP17A1CYP11B1

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.