SCHEMBL4038529

SCHEMBL4038529

O=C=Nc1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
CTSB P07858 5/20 0.51
ALDH1A1 P00352 6/20 0.46
AR P10275 1/20 0.44
PLAU P00749 1/20 0.41
HPRT1 P00492 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
BRD4 O60885 1/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL7117378 0.85 CTSB (0.50) TDP1CTSBALDH1A1ARPLAU
SCHEMBL27066 0.81 CYP3A4 (0.50) TDP1ALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL29405309 0.81 CYP3A4 (0.50) TDP1ALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL14048632 0.80 TDP1 (0.57) TDP1CTSBALDH1A1ARPLAU
SCHEMBL7788656 0.79 TDP1 (0.80) TDP1CTSBALDH1A1ARHPRT1
SCHEMBL187375 0.78 PLAU (0.59) TDP1ALDH1A1PLAUCYP3A4HSD17B10
SCHEMBL30135431 0.78 PLAU (0.59) TDP1ALDH1A1PLAUCYP3A4HSD17B10
SCHEMBL11466165 0.77 TDP1 (0.57) TDP1CTSBALDH1A1ARPLAU
SCHEMBL30034632 0.76 TDP1 (0.49) TDP1ALDH1A1PLAUCYP3A4ALOX15
SCHEMBL11382980 0.75 CYP3A4 (0.45) TDP1ALDH1A1CYP3A4ALOX15HSD17B10

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP disclosed
US-7432267-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMAPNY (US) 2008-10-07 US disclosed
EP-1414795-A4 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP disclosed
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed
US-6992102-B2 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-31 US disclosed
US-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function SALVATI MARK E 2005-12-22 US disclosed
EP-1463728-A4 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2005-12-21 EP disclosed
US-20050256048-A1 Selective androgen receptor modulators and methods for their identification, design and use SALVATI MARK E 2005-11-17 US disclosed
US-6960474-B2 Method for the treatment of a condition remediable by administration of a selective androgen receptor modulator BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-01 US disclosed
CN-1443187-A Fused ring modulators of nuclear hormone receptor function BRISTOL MYERS SQUIBB CO (US) 2003-09-17 CN disclosed
WO-2003053354-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-06-19 US disclosed
EP-1299385-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2003-04-09 EP disclosed
EP-1299094-A2 SELECTIVE ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR IDENTIFICATION, DESIGN AND USE Bristol-Myers Squibb Company (US) 2003-04-09 EP disclosed
US-20030055094-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-03-20 US disclosed
WO-2003011824-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-13 WO disclosed
US-20020173445-A1 Selective androgen receptor modulators and methods for their identification, design and use BRISTOL-MYERS SQUIBB COMPANY 2002-11-21 US disclosed
WO-2002000617-A2 SELECTIVE ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR IDENTIFICATION, DESIGN AND USE BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-03 WO disclosed
WO-2002000653-A2 FUSED CYCLIC COMPOUNDS AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-03 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 (5 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-20050256048-A1 Selective androgen receptor modulators and methods for their identification, design and use AR, FSHR, LHCGR TDP1 4422/4885CTSB 3810/4885ALDH1A1 2914/4885
US-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function NR2C2, NR0B2, NR0B1 TDP1 4841/4885CTSB 4693/4885ALDH1A1 4495/4885
US-20020173445-A1 Selective androgen receptor modulators and methods for their identification, design and use AR, FSHR, LHCGR TDP1 4422/4885CTSB 3810/4885ALDH1A1 2914/4885
US-20030055094-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA TDP1 3077/4885CTSB 4450/4885ALDH1A1 763/4885
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 TDP1 3841/4885CTSB 4427/4885ALDH1A1 4518/4885

“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.