SCHEMBL4773594

SCHEMBL4773594

COc1cccc(C2=NC(=O)c3ccccc3C2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
KDM4E B2RXH2 7/20 0.43
MAPT P10636 6/20 0.43
GAA P10253 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CASP3 P42574 1/20 0.43
CASP6 P55212 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAOB P27338 1/20 0.41
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 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 0.88 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTGAAL3MBTL1
SCHEMBL4774181 0.82 MEN1 (0.48) ALDH1A1KDM4EMAPTGAAL3MBTL1
SCHEMBL4774292 0.78 HDAC4 (0.49) ALDH1A1KDM4EMAPTGAAL3MBTL1
SCHEMBL4772003 0.78 PTPN1 (0.45) ALDH1A1KDM4EMAPTGAAL3MBTL1
SCHEMBL4766311 0.77 MEN1 (0.48) ALDH1A1KDM4EMAPTL3MBTL1CASP3
SCHEMBL4769027 0.74 NPC1 (0.46) ALDH1A1KDM4EMAPTGAAL3MBTL1
SCHEMBL20675773 0.74 NPSR1 (0.44) ALDH1A1MAPTL3MBTL1CASP3CASP6
SCHEMBL4771354 0.73 ABL1 (0.44) ALDH1A1KDM4EMAPTGAACASP3
SCHEMBL15775307 0.71 UGCG (0.41) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL15775346 0.70 ACHE (0.43) ALDH1A1KDM4EMAPTGAARAB9A

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 ALDH1A1 2989/4885KDM4E 1050/4885MAPT 1892/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885KDM4E 1058/4885MAPT 3756/4885

“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.