SCHEMBL4774575

SCHEMBL4774575

O=C1N=C(c2ccc(Br)cc2)Cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
PTPRC P08575 1/20 0.39
TDP2 O95551 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
MAOB P27338 1/20 0.38
DHODH Q02127 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
CASP9 P55211 1/20 0.35
CASP6 P55212 1/20 0.35
CASP8 Q14790 1/20 0.35

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
SCHEMBL13945302 0.84 MIF (0.44) MAOATDP2L3MBTL1BCHECES1
SCHEMBL4763729 0.80 PDCD1 (0.43) MAOATDP2BCHECES1MAOB
SCHEMBL4768655 0.80 PTGS2 (0.42) MAOATDP2BCHECES1DHODH
SCHEMBL4769027 0.80 NPC1 (0.46) L3MBTL1MAOBALDH1A1MAPK1NPC1
SCHEMBL4769387 0.77 NOTUM (0.38) MAOAL3MBTL1KDM4E
SCHEMBL13237304 0.76 SMN1; SMN2 (0.45) TDP1ALDH1A1MAPK1NPC1MEN1
SCHEMBL15775729 0.76 CHRM5 (0.35) PTPRCMAOBALDH1A1GAASMN1; SMN2
SCHEMBL15775414 0.76 SMN1; SMN2 (0.38) MAOAPTPRCTDP1MAOBALDH1A1
SCHEMBL4764401 0.76 MAPT (0.45) TDP1L3MBTL1ALDH1A1MAPK1NPC1
SCHEMBL4766650 0.76 HSD11B1 (0.42) DHODHMEN1KMT2A

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 MAOA 567/4885PTPRC 4541/4885TDP2 1379/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MAOA 1268/4885PTPRC 4730/4885TDP2 551/4885

“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.