SCHEMBL4770554

SCHEMBL4770554

CCCNC(=O)c1ccc(-c2cc3ccccc3c(N3CCN(CC)CC3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGDS O60760 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
DRD2 P14416 2/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
DRD4 P21917 1/20 0.43
RIPK1 Q13546 1/20 0.43
PRKD1 Q15139 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.42
HTR1A P08908 2/20 0.42
HTR2A P28223 1/20 0.42

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 SCHEMBL4765862 0.99 KDM4E (0.45) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL4766169 0.93 GAA (0.50) KDM4EALDH1A1TP53HPGDHSD17B10
Hydrochloric Acid SCHEMBL4770410 0.92 GAA (0.49) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL4763611 0.92 SMN1; SMN2 (0.43) KDM4EALDH1A1TP53HPGDHSD17B10
Hydrochloric Acid SCHEMBL4766050 0.91 SMN1; SMN2 (0.43) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL4766207 0.89 SMN1; SMN2 (0.44) KDM4EALDH1A1TP53HPGDHSD17B10
Hydrochloric Acid SCHEMBL4769002 0.88 SMN1; SMN2 (0.43) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL4768464 0.87 KDM4E (0.44) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL6289286 0.87 KMT2A (0.41) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL4773350 0.86 ALDH1A1 (0.45) KDM4EALDH1A1TP53HPGDHSD17B10

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-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
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 1050/4885ALDH1A1 2989/4885TP53 2427/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KDM4E 1058/4885ALDH1A1 1071/4885TP53 3037/4885

“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.