SCHEMBL4772789

SCHEMBL4772789

CCOC(=O)COc1ccccc1-c1cc2ccccc2c(N2CCN(CC)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.42
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL4774339 0.88 METAP1 (0.40) METAP1PTPN1ALDH1A1KMT2AKDM4E
SCHEMBL4769438 0.85 F2RL3 (0.40) METAP1PTPN1ALDH1A1KMT2AKDM4E
SCHEMBL4773855 0.85 HTR1A (0.40) METAP1PTPN1ALDH1A1KMT2AKDM4E
SCHEMBL4763350 0.85 METAP1 (0.49) METAP1ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL4767455 0.85 CYP4F2 (0.44) ALDH1A1KMT2ASMN1; SMN2CYP1A2CYP2C19
Oxalic Acid SCHEMBL6726418 0.85 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4ESMN1; SMN2HPGD
SCHEMBL4770609 0.83 KMT2A (0.47) ALDH1A1KMT2AKDM4ESMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL4766222 0.82 KMT2A (0.47) ALDH1A1KMT2AKDM4ESMN1; SMN2HPGD
SCHEMBL4768653 0.82 CYP1A2 (0.48) ALDH1A1KMT2AKDM4ESMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL6292095 0.81 KMT2A (0.48) ALDH1A1KMT2AKDM4ESMN1; SMN2HPGD

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 METAP1 3597/4885PTPN1 4140/4885ALDH1A1 2989/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 METAP1 2441/4885PTPN1 4030/4885ALDH1A1 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.