SCHEMBL4773477

SCHEMBL4773477

COc1ccc(C2=NC(=O)c3ccc(OC)cc3C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.55
ACHE P22303 3/20 0.48
BACE1 P56817 3/20 0.48
CYP19A1 P11511 2/20 0.45
MAOB P27338 3/20 0.44
TDP2 O95551 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GSTP1 P09211 1/20 0.41
MAOA P21397 1/20 0.40

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
SCHEMBL4764676 0.88 MAOB (0.48) METAP1ACHEBACE1CYP19A1MAOB
SCHEMBL4769027 0.85 NPC1 (0.46) METAP1ACHEBACE1MAOBNPC1
SCHEMBL4771354 0.75 ABL1 (0.44) METAP1NPC1ALDH1A1HTTSMN1; SMN2
SCHEMBL4772003 0.75 PTPN1 (0.45) METAP1MAOBNPC1ALDH1A1SMN1; SMN2
SCHEMBL23835146 0.73 METAP1 (0.73) METAP1ACHEBACE1CYP19A1MAOB
SCHEMBL30887372 0.73 METAP1 (0.73) METAP1ACHEBACE1CYP19A1MAOB
SCHEMBL15775739 0.73 TNKS (0.40) MAOBNPC1ALDH1A1HTTSMN1; SMN2
SCHEMBL15775407 0.72 CCNE2 (0.44) MAOBNPC1ALDH1A1HTTSMN1; SMN2
SCHEMBL15775756 0.72 ALDH1A1 (0.42) NPC1ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL4774292 0.72 HDAC4 (0.49) METAP1TDP2NPC1ALDH1A1SMN1; 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 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 METAP1 3597/4885ACHE 35/4885BACE1 4323/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 METAP1 2441/4885ACHE 94/4885BACE1 4623/4885

“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.