SCHEMBL4774181

SCHEMBL4774181

COc1cc(OC)c(C2=NC(=O)c3ccccc3C2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
MAPT P10636 6/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 6/20 0.44
GAA P10253 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CASP3 P42574 3/20 0.41
SENP8 Q96LD8 3/20 0.41
SENP7 Q9BQF6 3/20 0.41
SENP6 Q9GZR1 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CASP6 P55212 1/20 0.41
MIF P14174 2/20 0.39
CES2 O00748 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL4763654 0.87 ALDH1A1 (0.47) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL4774292 0.85 HDAC4 (0.49) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4772003 0.85 PTPN1 (0.45) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4766311 0.83 MEN1 (0.48) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL4773594 0.82 ALDH1A1 (0.43) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL4771354 0.77 ABL1 (0.44) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4769027 0.75 NPC1 (0.46) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4766921 0.73 MAPT (0.39) MAPTKDM4EL3MBTL1LMNA
SCHEMBL4768931 0.73 CCR1 (0.47) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4764752 0.73 IDO1 (0.46) MEN1KMT2AMAPTSMN1; SMN2

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 6 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-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 (1 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-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MEN1 1171/4885KMT2A 1300/4885CRHBP 2320/4885

“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.