SCHEMBL503525

SCHEMBL503525

COC(=O)[C@](C)(N)Cc1ccc(O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.67
ESR1 P03372 6/20 0.50
ESR2 Q92731 5/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
EGFR P00533 1/20 0.45
CYP1A2 P05177 1/20 0.45
FYN P06241 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
APEX1 P27695 1/20 0.45
ADRA1A P35348 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL503526 1.00 BLM (0.67) BLMESR1ESR2MEN1KMT2A
SCHEMBL540243 1.00 BLM (0.67) BLMESR1ESR2MEN1KMT2A
Hydrochloric Acid SCHEMBL540242 0.98 BLM (0.65) BLMESR1ESR2MEN1KMT2A
Hydrochloric Acid SCHEMBL540244 0.98 BLM (0.65) BLMESR1ESR2MEN1KMT2A
Hydrochloric Acid SCHEMBL1322060 0.98 BLM (0.65) BLMESR1ESR2MEN1KMT2A
SCHEMBL180210 0.85 BLM (0.47) BLMMEN1KMT2AKDM4EUSP2
SCHEMBL3647847 0.85 BLM (0.65) BLMESR1ESR2MEN1KMT2A
SCHEMBL31195654 0.85 BLM (0.47) BLMMEN1KMT2AKDM4EUSP2
SCHEMBL180265 0.85 BLM (0.47) BLMMEN1KMT2AKDM4EUSP2
SCHEMBL4610735 0.85 BLM (0.65) BLMESR1ESR2MEN1KMT2A

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
US-8445678-B2 2-quinoxalinol salen compounds and uses thereof AUBURN UNIVERSITY (US) 2013-05-21 US disclosed
US-20120028362-A1 2-QUINOXALINOL SALEN COMPOUNDS AND USES THEREOF AUBURN UNIVERSITY (US) 2012-02-02 US disclosed
US-20090286968-A1 2-Quinoxalinol Salen Compounds and Uses Thereof AUBURN UNIVERSITY (US) 2009-11-19 US disclosed
CN-1211232-A Benzamidine derivatives substituted with amino acid and hydroxy acid derivatives and their use as anticoagulants BERLEX LAB (US) 1999-03-17 CN disclosed
US-5331006-A Cholecystokinin, antisecretory agents WARNER-LAMBERT COMPANY (US) 1994-07-19 US disclosed
WO-1992004025-A1 AMINO ACID ANALOGS AS CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1992-03-19 WO 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-20090286968-A1 2-Quinoxalinol Salen Compounds and Uses Thereof NQO1, NQO2, SQOR BLM 309/4885ESR1 3533/4885ESR2 3229/4885
US-20120028362-A1 2-QUINOXALINOL SALEN COMPOUNDS AND USES THEREOF NQO1, NQO2, SQOR BLM 309/4885ESR1 3533/4885ESR2 3229/4885

“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.