SCHEMBL4769387

SCHEMBL4769387

O=C1N=C(c2ccc(OC(F)(F)F)cc2)Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
THRB P10828 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
FFAR1 O14842 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SCN5A Q14524 1/20 0.35
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PRKDC P78527 1/20 0.35
GPR3 P46089 1/20 0.35
GRIN2B Q13224 2/20 0.34

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
SCHEMBL4763729 0.82 PDCD1 (0.43) KDM4EBACE1MAOA
SCHEMBL4769027 0.82 NPC1 (0.46) KDM4EBACE1L3MBTL1ABL1
SCHEMBL13945302 0.77 MIF (0.44) BACE1L3MBTL1ABL1MAOA
SCHEMBL4774575 0.77 MAOA (0.40) KDM4EL3MBTL1MAOA
SCHEMBL4768655 0.73 PTGS2 (0.42) FFAR4FFAR1NISCHKDM4EMAOA
SCHEMBL4771354 0.72 ABL1 (0.44) KDM4EABL1MAOA
SCHEMBL4766311 0.70 MEN1 (0.48) KDM4EL3MBTL1
SCHEMBL17840231 0.70 GPR3 (0.50) NOTUMFFAR4FFAR1NISCHOPRM1
SCHEMBL4764401 0.69 MAPT (0.45) KDM4EL3MBTL1PRKDC
SCHEMBL4766650 0.69 HSD11B1 (0.42) NISCH

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 NOTUM 2663/4885THRB 2418/4885FFAR4 2028/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 NOTUM 4246/4885THRB 1793/4885FFAR4 2369/4885

“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.