SCHEMBL2967776

SCHEMBL2967776

Cc1nc2c([N+](=O)[O-])ccc(C#N)c2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.42
ALDH1A1 P00352 5/20 0.41
POLB P06746 2/20 0.41
GRM6 O15303 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
GPR35 Q9HC97 1/20 0.40
MAPT P10636 5/20 0.39
HPGD P15428 3/20 0.39
CYP2C9 P11712 1/20 0.39
APEX1 P27695 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CTSB P07858 3/20 0.39
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL22439121 0.75 ESR1 (0.35) ALDH1A1MAPTCTSBKDM4EMEN1
SCHEMBL2966955 0.75 ELANE (0.41) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL13216215 0.75 KDM4E (0.31) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL22439194 0.73 ALDH1A1 (0.42) ALDH1A1MAPTKDM4E
SCHEMBL13481781 0.72 GSTP1 (0.51) VCAM1ALDH1A1POLBMAPTBLM
SCHEMBL5418172 0.71 VCAM1 (0.51) VCAM1ALDH1A1POLBGRM6GRIA1
SCHEMBL3173192 0.70 VCAM1 (0.47) VCAM1ALDH1A1POLBGRM6GRIA1
SCHEMBL28457929 0.69 TDP1 (0.44) ALDH1A1MAPTHPGDTDP1CTSB
SCHEMBL26776073 0.69 TXNRD1 (0.50) VCAM1ALDH1A1POLBGRM6GRIA1
SCHEMBL11144477 0.69 ALDH1A1 (0.37) VCAM1ALDH1A1MAPTHPGDCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772267-B2 or other nuclear hormone receptors inhibitors; 4-(7-Hydroxy-1,3-dioxo-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile; age-related diseases: sarcopenia, muscular atrophy, lipodistrophy, long-term critical illness, chronic fatigue syndrome, bone fracture repair BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-7772267-B2 or other nuclear hormone receptors inhibitors; 4-(7-Hydroxy-1,3-dioxo-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile; age-related diseases: sarcopenia, muscular atrophy, lipodistrophy, long-term critical illness, chronic fatigue syndrome, bone fracture repair BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US 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-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-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
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7405234-B2 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-29 US disclosed
US-7405234-B2 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-29 US disclosed
US-6953679-B2 Method for the preparation of fused heterocyclic succinimide compounds and analogs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-11 US disclosed
US-20050192253-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E (US) 2005-09-01 US 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-1506178-A2 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2005-02-16 EP 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-20040181064-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 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
US-20040019063-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-01-29 US disclosed
WO-2003096980-A2 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-27 WO 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

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-20040019063-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA VCAM1 3692/4885ALDH1A1 1211/4885POLB 3484/4885
US-20050119228-A1 METHOD FOR THE PREPARATION OF FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF SUCNR1, SHBG, FSHR VCAM1 3648/4885ALDH1A1 1888/4885POLB 2878/4885
US-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 VCAM1 3646/4885ALDH1A1 3219/4885POLB 3542/4885
US-20040181064-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA VCAM1 3721/4885ALDH1A1 1051/4885POLB 2574/4885
US-20050192253-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 VCAM1 3646/4885ALDH1A1 3219/4885POLB 3542/4885

“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.