SCHEMBL561827

SCHEMBL561827

NC(Cc1ccc(OCc2ccccn2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.61
PARP10 Q53GL7 1/20 0.59
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
SLC7A5 Q01650 2/20 0.54
PTGS1 P23219 2/20 0.54
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
XIAP P98170 1/20 0.54
TPH1 P17752 1/20 0.54
GPR132 Q9UNW8 1/20 0.52
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SLC1A5 Q15758 1/20 0.51
PTPN1 P18031 2/20 0.50
ADAMTS4 O75173 1/20 0.48
PGR P06401 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
SLC6A2 P23975 1/20 0.48

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
SCHEMBL561829 1.00 MAOB (0.61) MAOBPARP10ITGB3ITGA2BSLC7A5
SCHEMBL288912 0.83 SLC7A5 (0.69) MAOBPARP10ITGB3ITGA2BSLC7A5
SCHEMBL515522 0.83 SLC7A5 (0.69) MAOBPARP10ITGB3ITGA2BSLC7A5
SCHEMBL659105 0.83 SLC7A5 (0.69) MAOBPARP10ITGB3ITGA2BSLC7A5
SCHEMBL7339113 0.83 MAOB (0.54) MAOBPARP10PTGS1GPR132ALDH1A1
SCHEMBL7339121 0.83 MAOB (0.54) MAOBPARP10PTGS1GPR132ALDH1A1
SCHEMBL8935407 0.83 PARP10 (0.61) MAOBPARP10PTGS1GPR132ALDH1A1
Hydrochloric Acid SCHEMBL16816706 0.82 SLC7A5 (0.67) MAOBPARP10ITGB3ITGA2BSLC7A5
SCHEMBL6065556 0.82 SLC7A5 (0.67) MAOBPARP10ITGB3ITGA2BSLC7A5
SCHEMBL4757532 0.82 SLC7A5 (0.67) MAOBPARP10ITGB3ITGA2BSLC7A5

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
US-20140134658-A1 PSA ENZYMATIC ACTIVITY: A NEW BIOMARKER FOR ASSESSING PROSTATE CANCER AGGRESSIVENESS NOTRHWESTERN UNIVERSITY, AN ILLINOIS NOT FOR PROFIT CORPORATION (US) 2014-05-15 US disclosed
US-20120034638-A1 Electrochemical assay for the detection of enzymatically active PSA NORTHWESTERN UNIVERSITY, AN ILLINOIS NOT FOR PROFIT CORPORATION 2012-02-09 US disclosed
US-6844318-B2 Peptidase-cleavable, targeted antineoplastic drugs and their therapeutic use BRISTOL MYERS SQUIBB PHARMA COMPANY (US) 2005-01-18 US disclosed
CN-1418112-A Peptidase cleavable, targeted antineoplastic agents and therapeutic uses thereof BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-05-14 CN disclosed
EP-1263473-A2 PEPTIDASE-CLEAVABLE, TARGETED ANTINEOPLASTIC DRUGS AND THEIR THERAPEUTIC USE Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP disclosed
US-20020103133-A1 Peptidase-cleavable, targeted antineoplastic drugs and their therapeutic use BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-01 US disclosed
WO-2001068145-A2 PEPTIDASE-CLEAVABLE, TARGETED ANTINEOPLASTIC DRUGS AND THEIR THERAPEUTIC USE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-20 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 (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-20020103133-A1 Peptidase-cleavable, targeted antineoplastic drugs and their therapeutic use DNPEP, TMPRSS15, ENPEP MAOB 3911/4885PARP10 1403/4885ITGB3 3744/4885

“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.