SCHEMBL2956480

SCHEMBL2956480

Cc1c(N)ccc(C#N)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 4/20 0.36
CYP3A4 P08684 4/20 0.36
PIK3CA P42336 1/20 0.36
AR P10275 5/20 0.33
GRM6 O15303 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
MAPK1 P28482 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
CXCR1 P25024 1/20 0.30
CXCR2 P25025 1/20 0.30

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
SCHEMBL1196089 0.80 AR (0.43) ALDH1A1KDM4EUSP2TSHRCYP3A4
SCHEMBL2428317 0.77 GRM6 (0.41) ALDH1A1KDM4EUSP2TSHRCYP3A4
SCHEMBL20954185 0.75 TRPV4 (0.39) TSHRARTDP1
SCHEMBL25871523 0.75 CYP11B1 (0.37) ALDH1A1KDM4EUSP2CYP3A4CYP1A2
SCHEMBL973688 0.75 AR (0.49) ALDH1A1KDM4EUSP2AR
SCHEMBL152108 0.75 EGLN2 (0.43) ALDH1A1KDM4EUSP2TSHRCYP3A4
SCHEMBL27982658 0.74 CYP3A4 (0.48) ALDH1A1KDM4ETSHRCYP3A4PIK3CA
SCHEMBL15365364 0.74 KDM4E (0.38) ALDH1A1KDM4EUSP2TSHRCYP3A4
SCHEMBL10692318 0.72 CYP1A2 (0.33) ALDH1A1KDM4EUSP2TSHRCYP3A4
SCHEMBL9575173 0.72 GRM6 (0.41) ALDH1A1KDM4EUSP2TSHRCYP3A4

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 14 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-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
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 ALDH1A1 1211/4885KDM4E 1161/4885USP2 3645/4885
US-20040181064-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA ALDH1A1 1051/4885KDM4E 1539/4885USP2 3579/4885
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION AR, ESRRA, SHBG ALDH1A1 1002/4885KDM4E 1108/4885USP2 3692/4885

“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.