SCHEMBL4772233

SCHEMBL4772233

COc1ccc(-c2cc3ccccc3c(N3CCOCC3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.55
KDM4E B2RXH2 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
PIK3CD O00329 3/20 0.53
PRKDC P78527 2/20 0.53
XRCC6 P12956 1/20 0.53
XRCC5 P13010 1/20 0.53
NOS1 P29475 1/20 0.50
PIK3CA P42336 3/20 0.49
AHR P35869 1/20 0.49
ACP1 P24666 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
HCRTR1 O43613 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.48

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
Hydrochloric Acid SCHEMBL4769484 0.99 MERTK (0.54) MERTKKDM4ETDP1PIK3CDPRKDC
SCHEMBL4770812 0.86 HRH4 (0.56) KDM4EL3MBTL1NPC1RAB9AHPGD
SCHEMBL29007294 0.86 PIK3CD (0.59) KDM4ETDP1PIK3CDPIK3CAAHR
SCHEMBL30389776 0.86 PIK3CD (0.59) KDM4ETDP1PIK3CDPIK3CAAHR
SCHEMBL4771287 0.85 ROCK2 (0.60) KDM4EACP1ALDH1A1NPC1GAA
SCHEMBL4774137 0.83 TLR9 (0.52) KDM4EL3MBTL1ALDH1A1NPC1LMNA
SCHEMBL4772049 0.83 LMNA (0.47) KDM4ETDP1ALDH1A1NPC1LMNA
SCHEMBL4763566 0.83 HRH3 (0.48) KDM4EACP1L3MBTL1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL4770729 0.82 HRH3 (0.47) ACP1L3MBTL1ALDH1A1NPC1LMNA
SCHEMBL4765804 0.82 TLR9 (0.48) KDM4EALDH1A1NPC1LMNAGAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US claimed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP claimed
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 MERTK 4681/4885KDM4E 1050/4885TDP1 1197/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MERTK 4843/4885KDM4E 1058/4885TDP1 326/4885

“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.