SCHEMBL4769438

SCHEMBL4769438

CCOC(=O)COc1ccccc1-c1cc2ccoc2c(N2CCN(CC)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.40
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 4/20 0.39
PTPN1 P18031 2/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SQOR Q9Y6N5 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
METAP1 P53582 1/20 0.36
KLK7 P49862 1/20 0.36

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
SCHEMBL6859470 0.92 ALDH1A1 (0.40) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL4772789 0.85 METAP1 (0.42) KDM4EALDH1A1KMT2APTPN1MEN1
SCHEMBL4769431 0.84 KDM4E (0.43) KDM4EALDH1A1PTPN1POLBMAPT
SCHEMBL4774339 0.83 METAP1 (0.40) F2RL3KDM4EALDH1A1KMT2APTPN1
SCHEMBL4773855 0.82 HTR1A (0.40) F2RL3KDM4EALDH1A1KMT2APTPN1
SCHEMBL6859468 0.76 KDM4E (0.39) KDM4EALDH1A1POLBMAPT
SCHEMBL4763350 0.71 METAP1 (0.49) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL4767455 0.71 CYP4F2 (0.44) ALDH1A1KMT2AMEN1L3MBTL1
Oxalic Acid SCHEMBL6726418 0.70 ALDH1A1 (0.50) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL6289203 0.70 PIK3CA (0.40) KDM4EALDH1A1MAPTL3MBTL1

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 F2RL3 2131/4885KDM4E 1050/4885ALDH1A1 2989/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 F2RL3 3183/4885KDM4E 1058/4885ALDH1A1 1071/4885

“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.