SCHEMBL4774461

SCHEMBL4774461

COc1ccc(-c2cc3ccsc3c(N3CCN(CCO)CC3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 3/20 0.44
HRH4 Q9H3N8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTBP1 P26599 1/20 0.42
HRH1 P35367 1/20 0.42
ALOX15 P16050 1/20 0.41
CHRNA7 P36544 1/20 0.41
ACHE P22303 2/20 0.41
BCHE P06276 1/20 0.41
HTR2A P28223 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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 SCHEMBL6292480 0.99 KMT2A (0.52) KMT2AROCK2ROCK1HRH4L3MBTL1
SCHEMBL14102938 0.90 ROCK2 (0.46) KMT2AROCK2ROCK1HPGDALDH1A1
SCHEMBL4764263 0.88 HRH3 (0.49) KMT2AHRH4L3MBTL1KDM4EHPGD
Hydrochloric Acid SCHEMBL4774204 0.87 HRH3 (0.48) KMT2AHRH4L3MBTL1KDM4EHPGD
SCHEMBL4766069 0.83 SYK (0.43) KMT2AROCK2ROCK1HRH4L3MBTL1
SCHEMBL4772896 0.82 SYK (0.40) KMT2AROCK2ROCK1KDM4EHPGD
Hydrochloric Acid SCHEMBL4772517 0.82 SYK (0.42) KMT2AROCK2ROCK1HRH4L3MBTL1
Hydrochloric Acid SCHEMBL4772337 0.82 SYK (0.39) KMT2AROCK2ROCK1KDM4EHPGD
SCHEMBL4770112 0.81 HTR2A (0.51) KMT2AHRH4KDM4EHPGDMEN1
SCHEMBL4768652 0.81 MAPK1 (0.40) KMT2AROCK2ROCK1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 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
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 KMT2A 1240/4885ROCK2 3313/4885ROCK1 2976/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KMT2A 1300/4885ROCK2 1825/4885ROCK1 1087/4885

“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.