SCHEMBL3178940

SCHEMBL3178940

O=C1C=CC(=O)N1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.58
CTSB P07858 3/20 0.58
TDP1 Q9NUW8 2/20 0.50
CCR6 P51684 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HSP90AA1 P07900 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
NLRP1 Q9C000 1/20 0.49
TLR9 Q9NR96 1/20 0.47
MEN1 O00255 3/20 0.44
NPC1 O15118 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
RAB9A P51151 2/20 0.44
S1PR4 O95977 1/20 0.44
POLB P06746 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
SCHEMBL5077484 0.82 TLR9 (0.68) TDP1CCR6ALDH1A1HPGDNPSR1
SCHEMBL31180023 0.82 TLR9 (0.68) TDP1CCR6ALDH1A1HPGDNPSR1
SCHEMBL3196741 0.79 AR (0.50) ARCTSBTDP1CCR6ALDH1A1
SCHEMBL29510755 0.79 TLR9 (0.59) TDP1CCR6ALDH1A1HPGDNPSR1
SCHEMBL710745 0.79 TLR9 (0.59) TDP1CCR6ALDH1A1HPGDNPSR1
SCHEMBL7788656 0.78 TDP1 (0.80) ARCTSBTDP1ALDH1A1HSP90AA1
SCHEMBL3193412 0.77 AR (0.54) ARCTSBTDP1CCR6ALDH1A1
SCHEMBL3187856 0.76 AR (0.62) ARCTSBTDP1ALDH1A1MAPT
SCHEMBL27635265 0.76 AR (0.61) ARCTSBTDP1ALDH1A1HSP90AA1
SCHEMBL4414982 0.75 AR (0.52) ARCTSBTDP1CCR6ALDH1A1

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
CN-115340483-A Naphthyl pyrrolindione compound, preparation method and application thereof 南京吉星生物技术开发有限公司 2022-11-15 CN disclosed
US-7655689-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
EP-1854798-A2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function Bristol-Myers Squibb Company (US) 2007-11-14 EP disclosed
EP-1319007-B9 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2007-10-10 EP disclosed
US-7141578-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-28 US disclosed
US-20060264459-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-11-23 US disclosed
US-20060223832-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-10-05 US disclosed
EP-1319007-B1 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP disclosed
US-20050119228-A1 METHOD FOR THE PREPARATION OF FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 US disclosed
EP-1458723-A1 FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristols-Myers Squibb Company (US) 2004-09-22 EP disclosed
US-20040176324-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-09 US disclosed
US-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
WO-2003062241-A1 FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-31 WO disclosed
EP-1319007-A1 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2003-06-18 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-20020173445-A1 Selective androgen receptor modulators and methods for their identification, design and use BRISTOL-MYERS SQUIBB COMPANY 2002-11-21 US disclosed
WO-2002024702-A1 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-28 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20050119228-A1 METHOD FOR THE PREPARATION OF FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF SUCNR1, SHBG, FSHR AR 36/4885CTSB 3168/4885TDP1 4457/4885
US-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 AR 33/4885CTSB 4015/4885TDP1 4323/4885
US-20060223832-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 AR 33/4885CTSB 4015/4885TDP1 4323/4885
US-20020173445-A1 Selective androgen receptor modulators and methods for their identification, design and use AR, FSHR, LHCGR AR 1/4885CTSB 3810/4885TDP1 4422/4885
US-20060264459-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 AR 33/4885CTSB 4015/4885TDP1 4323/4885
US-20040176324-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 AR 33/4885CTSB 4015/4885TDP1 4323/4885

“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.