SCHEMBL4775898

SCHEMBL4775898

CCS(=O)(=O)NCc1ccc(-c2cc3ccccc3c(N3CCN(CCO)CC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
HTR2A P28223 4/20 0.41
DRD3 P35462 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
DRD2 P14416 3/20 0.39
HTR7 P34969 3/20 0.39
HTR6 P50406 3/20 0.39
BACE1 P56817 1/20 0.39
ROCK2 O75116 4/20 0.39

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 SCHEMBL4769000 0.99 KDM4E (0.44) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL4763833 0.90 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1HTTLMNA
Hydrochloric Acid SCHEMBL4770642 0.89 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL14102695 0.85 MEN1 (0.43) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL4767462 0.85 DRD2 (0.47) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL4770887 0.83 SMN1; SMN2 (0.42) MEN1KMT2AKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL4774202 0.82 SMN1; SMN2 (0.41) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL4768837 0.82 RXFP1 (0.45) MEN1KMT2AKDM4EALDH1A1HTT
Oxalic Acid SCHEMBL4772211 0.82 KDM4E (0.46) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL4771917 0.80 SMN1; SMN2 (0.41) MEN1KMT2AKDM4EALDH1A1HTT

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 8 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-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 MEN1 786/4885KMT2A 1240/4885KDM4E 1050/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MEN1 1171/4885KMT2A 1300/4885KDM4E 1058/4885

“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.