SCHEMBL2958280

SCHEMBL2958280

COc1c(C#N)ccc([N+](=O)[O-])c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.51
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
TDP1 Q9NUW8 3/20 0.43
PIN1 Q13526 1/20 0.40
GRIA1 P42261 2/20 0.39
GRIA2 P42262 2/20 0.39
GRIA3 P42263 2/20 0.39
GRIA4 P48058 2/20 0.39
GRM6 O15303 1/20 0.39
GPR35 Q9HC97 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MERTK Q12866 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.35
TTR P02766 1/20 0.35

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
SCHEMBL2967890 0.81 VCAM1 (0.44) VCAM1TDP1PIN1GRIA1GRIA2
SCHEMBL2476425 0.80 VCAM1 (0.61) VCAM1HTR2AHTR2CHTR2BTDP1
SCHEMBL936742 0.78 TDP1 (0.60) VCAM1HTR2AHTR2CHTR2BTDP1
SCHEMBL1675917 0.78 VCAM1 (0.44) VCAM1TDP1PIN1GRIA1GRIA2
SCHEMBL6742801 0.78 TDP1 (0.47) VCAM1TDP1PIN1GRIA1GRIA2
SCHEMBL2913158 0.77 VCAM1 (0.57) VCAM1HTR2AHTR2CHTR2BTDP1
SCHEMBL3840814 0.77 TDP1 (0.48) HTR2AHTR2CHTR2BTDP1MAPT
SCHEMBL34473595 0.76 TDP1 (0.47) TDP1GPR35MAPTALDH1A1MERTK
SCHEMBL34472553 0.76 TDP1 (0.47) VCAM1HTR2AHTR2CHTR2BTDP1
SCHEMBL15538632 0.75 VCAM1 (0.47) VCAM1TDP1MAPTALDH1A1MERTK

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 12 patents. 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-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-7405234-B2 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-29 US disclosed
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 US disclosed
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 US disclosed
EP-1506178-A4 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-05-24 EP disclosed
EP-1506178-A2 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
US-20040181064-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 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

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

For each of this compound's patents that has machine-readable text (3 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 3692/4885HTR2A 1445/4885HTR2C 1329/4885
US-20040181064-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA VCAM1 3721/4885HTR2A 1431/4885HTR2C 1196/4885
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION AR, ESRRA, SHBG VCAM1 4100/4885HTR2A 977/4885HTR2C 1005/4885

“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.