SCHEMBL2959996

SCHEMBL2959996

COc1c(C#N)ccc(N)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
USP2 O75604 1/20 0.44
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 2/20 0.33
MAOB P27338 1/20 0.33
AR P10275 4/20 0.33
TRPV4 Q9HBA0 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
PGR P06401 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL11872985 0.82 ALDH1A1 (0.48) KDM4EALDH1A1USP2IMPDH2IMPDH1
SCHEMBL1511974 0.81 KDM4E (0.47) KDM4EALDH1A1USP2IMPDH2IMPDH1
SCHEMBL27496007 0.79 KDM4E (0.46) KDM4EALDH1A1USP2IMPDH2IMPDH1
SCHEMBL11938977 0.78 KDM4E (0.44) KDM4EALDH1A1USP2IMPDH2IMPDH1
SCHEMBL7961132 0.77 ALDH1A1 (0.48) KDM4EALDH1A1USP2IMPDH2IMPDH1
SCHEMBL20567319 0.76 AR (0.42) KDM4EALDH1A1USP2L3MBTL1MAOA
SCHEMBL8758546 0.76 KDM4E (0.46) KDM4EALDH1A1USP2IMPDH2IMPDH1
SCHEMBL21063368 0.75 ALDH1A1 (0.35) KDM4EALDH1A1USP2IMPDH2IMPDH1
SCHEMBL3180495 0.75 AR (0.41) KDM4EALDH1A1USP2ARPGR
SCHEMBL10992767 0.74 ALDH1A1 (0.44) KDM4EALDH1A1L3MBTL1MEN1KMT2A

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