SCHEMBL4770265

SCHEMBL4770265

OB(O)Oc1cc(F)c(OCc2ccccc2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
KDM1A O60341 5/20 0.44
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
LIPE Q05469 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5 P09917 1/20 0.40
CYP4F2 P78329 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
SCHEMBL17799298 0.83 MAOB (0.43) FFAR4MAOBMAOA
SCHEMBL4770223 0.82 LIPE (0.46) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL31464147 0.81 MEN1 (0.51) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL2005338 0.81 LIPE (0.47) THRATHRBFFAR4KDM1AMAOB
SCHEMBL9823890 0.80 KDM1A (0.50) THRATHRBFFAR4KDM1AMAOB
SCHEMBL5203822 0.79 GAA (0.48) THRBMAOBLMNAHDAC6LIPE
SCHEMBL27858438 0.79 MAOB (0.57) FFAR4KDM1AMAOBMAOALMNA
SCHEMBL1017228 0.78 KDM1A (0.54) THRATHRBFFAR4KDM1AMAOB
SCHEMBL31064802 0.77 KDM1A (0.48) KDM1AMAOBMAOASLC6A2SLC6A3
SCHEMBL2303383 0.77 KDM1A (0.48) THRATHRBFFAR4KDM1AMAOB

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 THRA 2099/4885THRB 2418/4885FFAR4 2028/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 THRA 1809/4885THRB 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.