SCHEMBL561160

SCHEMBL561160

O=C(O)C(Cc1ccc([N+](=O)[O-])cc1)NO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.57
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ACE P12821 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
CA1 P00915 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44

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
SCHEMBL561161 1.00 CA2 (0.57) CA2LMNAMEN1KMT2ANPC1
SCHEMBL15092902 0.86 CA2 (0.56) CA2LMNAMEN1KMT2ANPC1
SCHEMBL30340495 0.86 CA2 (0.60) CA2LMNAMEN1KMT2ANPC1
SCHEMBL1225145 0.86 CA2 (0.56) CA2LMNAMEN1KMT2ANPC1
SCHEMBL13223715 0.86 CA2 (0.56) CA2LMNAMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL11896891 0.84 CA2 (0.55) CA2LMNAMEN1KMT2ANPC1
SCHEMBL1096514 0.84 CA2 (0.55) CA2LMNAMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL5756052 0.84 CA2 (0.55) CA2LMNAMEN1KMT2ANPC1
SCHEMBL11208510 0.83 CA2 (0.60) CA2LMNAMEN1KMT2ANPC1
SCHEMBL8406437 0.83 CA2 (0.60) CA2LMNAMEN1KMT2ANPC1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3047274-A2 PSA ENZYMATIC ACTIVITY: A NEW BIOMARKER FOR ASSESSING PROSTATE CANCER AGGRESSIVENESS Ohmx Corporation (US) 2016-07-27 EP disclosed
WO-2015042493-A2 PSA ENZYMATIC ACTIVITY: A NEW BIOMARKER FOR ASSESSING PROSTATE CANCER AGGRESSIVENESS OHMX CORPORATION (US) 2015-03-26 WO disclosed
US-20140322740-A1 PSA PEPTIDASE ACTIVITY (PPA) AS A PROSTATE CANCER BIOMARKER NORTHWESTERN UNIVERSITY, AN ILLINOIS NOT FOR PROFIT CORPORATION (US) 2014-10-30 US disclosed
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
EP-2571997-A2 ENZYMATIC ACTIVITY OF PSA AS DIAGNOSTIC MARKER FOR PROSTATE CANCER Ohmx Corporation (US) 2013-03-27 EP 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
WO-2011146143-A2 DETECTION OF CANCER BY ASSAYING PSA ENZYMATIC ACTIVITY OHMX CORPORATION (US) 2011-11-24 WO disclosed
US-6844318-B2 Peptidase-cleavable, targeted antineoplastic drugs and their therapeutic use BRISTOL MYERS SQUIBB PHARMA COMPANY (US) 2005-01-18 US 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 CA2 2151/4885LMNA 2557/4885MEN1 861/4885

“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.