SCHEMBL4764339

SCHEMBL4764339

COCCCc1cncc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.33
DAO P14920 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TACR1 P25103 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHRNA7 P36544 1/20 0.33

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
SCHEMBL15746894 0.80 ATM (0.37) CYP3A4DAO
SCHEMBL188469 0.79 SMN1; SMN2 (0.44) POLBHCRTR1HCRTR2KDM4EMAPT
SCHEMBL5848405 0.78 L3MBTL1 (0.50) POLBHCRTR1HCRTR2MAPTHTT
SCHEMBL25211991 0.77 TACR1 (0.43) KDM4EMAPTHTTSMN1; SMN2NPC1
SCHEMBL30474798 0.77 TACR1 (0.43) KDM4EMAPTHTTSMN1; SMN2NPC1
SCHEMBL3706851 0.77 CYP11B1 (0.45) POLBKDM4EMAPTHTTSMN1; SMN2
SCHEMBL1419365 0.76 CYP2A6 (0.48) POLBHCRTR1HCRTR2KDM4ECHRNA7
SCHEMBL2095121 0.76 POLB (0.37) POLBHCRTR1HCRTR2KDM4EMAPT
SCHEMBL18474496 0.75 NOS3 (0.50) HCRTR1HCRTR2SLC6A4CHRNA7
SCHEMBL21465056 0.75 CHRNB2 (0.48) KDM4EHTTSMN1; SMN2CYP1A2CYP3A4

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 8 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
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 POLB 3161/4885HCRTR1 2465/4885HCRTR2 1740/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 POLB 3192/4885HCRTR1 1916/4885HCRTR2 1353/4885

“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.