SCHEMBL4770045

SCHEMBL4770045

CCN1CCN(c2nc(-c3ccc(OCCCS(=O)(=O)O)cc3)cc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.43
PLA2G2A P14555 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE10A Q9Y233 1/20 0.42
GBA1 P04062 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 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
SCHEMBL4772942 0.98 TP53 (0.46) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4768908 0.91 RAB9A (0.44) TP53KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL4772229 0.91 RAB9A (0.43) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4768918 0.88 RAB9A (0.46) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4086176 0.88 RAB9A (0.46) TP53KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL4774080 0.87 RAB9A (0.46) TP53KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL4775551 0.87 RAB9A (0.45) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4769109 0.86 PRMT5 (0.47) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4764269 0.86 TP53 (0.46) TP53KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL4763743 0.85 PRMT5 (0.46) TP53KDM4EALDH1A1HPGDHSD17B10

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 6 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-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 (1 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-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 TP53 3037/4885KDM4E 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.