SCHEMBL4770809

SCHEMBL4770809

CCOC(=O)C(C)c1ccc(-c2cc3ccsc3c(N3CCN(CC)CC3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
RXFP1 Q9HBX9 3/20 0.37
HTR1A P08908 2/20 0.36
HTR2C P28335 1/20 0.36
MAPT P10636 4/20 0.36
TSHR P16473 3/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SYK P43405 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
USP2 O75604 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL4770817 0.83 HRH3 (0.40) KDM4ERXFP1HTR1AHTR2CMAPT
SCHEMBL4773849 0.83 METAP1 (0.41) KDM4ERXFP1HTR1AHTR2CMAPT
SCHEMBL8124249 0.82 SYK (0.33) KDM4ERXFP1MAPTTSHRLMNA
SCHEMBL4764010 0.82 RXFP1 (0.35) RXFP1MAPTLMNAHTTSMN1; SMN2
SCHEMBL4769430 0.82 RXFP1 (0.37) KDM4ERXFP1HTR1AHTR2CMAPT
SCHEMBL4764376 0.81 RXFP1 (0.36) KDM4ERXFP1MAPTTSHRHTT
Hydrochloric Acid SCHEMBL4768702 0.81 RXFP1 (0.34) RXFP1MAPTLMNAHTTSMN1; SMN2
SCHEMBL4764086 0.81 RXFP1 (0.35) KDM4ERXFP1HTR1AHTR2CMAPT
SCHEMBL4764095 0.81 RXFP1 (0.35) KDM4ERXFP1HTR1AHTR2CMAPT
SCHEMBL4773526 0.81 FGFR1 (0.41) RXFP1MAPTTSHRLMNAHTT

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 KDM4E 1050/4885RXFP1 634/4885HTR1A 2/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KDM4E 1058/4885RXFP1 82/4885HTR1A 2/4885

“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.