SCHEMBL2965469

SCHEMBL2965469

Cc1c(Nc2ccccc2)ccc(C#N)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AR P10275 8/20 0.44
PGR P06401 4/20 0.44
NR3C2 P08235 3/20 0.44
NR3C1 P04150 2/20 0.44
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.41
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AURKA O14965 1/20 0.40
KDR P35968 1/20 0.39

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
SCHEMBL7306513 0.81 GAA (0.55) HTTGAAKDM4EMEN1LMNA
SCHEMBL6550968 0.78 KDM4E (0.51) HTTGAAKDM4EMEN1LMNA
SCHEMBL31264026 0.78 KDM4E (0.51) HTTGAAKDM4EMEN1LMNA
SCHEMBL18704804 0.78 AR (0.49) ARPGRNR3C2NR3C1
SCHEMBL15229629 0.75 AR (0.48) GAAKDM4EHPGDARPGR
SCHEMBL7297460 0.75 L3MBTL1 (0.49) HTTGAAKDM4EMEN1LMNA
SCHEMBL4193660 0.73 GAA (0.54) HTTGAAKDM4EMEN1LMNA
SCHEMBL4168079 0.73 CXCR1 (0.43) GAAKDM4EHPGDARPGR
SCHEMBL8620860 0.72 AR (0.44) ARPGRNR3C2NR3C1
SCHEMBL20881623 0.71 KDM4E (0.76) HTTGAAKDM4EMEN1LMNA

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 24 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-7732480-B2 Bicyclic compounds as modulators of androgen receptor function and method BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-08 US disclosed
US-7696241-B2 Bicyclic compounds as modulators of androgen receptor function and method BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-13 US disclosed
US-7405234-B2 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-29 US disclosed
US-7388027-B2 Bicyclic compounds as modulators of androgen receptor function and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 US disclosed
US-20080103188-A1 NOVEL BICYCLIC COMPOUNDS AS MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-01 US disclosed
US-20080096954-A1 Novel Bicyclic Compounds As Modulators of Androgen Receptor Function And Method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-24 US disclosed
EP-1722790-A4 NOVEL BICYCLIC COMPOUNDS AS MODULATORS OF ANDROGEN RECEPTOR FUNCTION AND METHOD BRISTOL MYERS SQUIBB CO (US) 2007-10-31 EP disclosed
EP-1729763-A4 NOVEL BICYCLIC COMPOUNDS AS MODULATORS OF ANDROGEN RECEPTOR FUNCTION AND METHOD BRISTOL MYERS SQUIBB CO (US) 2007-10-31 EP disclosed
EP-1506178-A4 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-05-24 EP disclosed
WO-2005089118-A2 NOVEL BICYCLIC COMPOUNDS AS MODULATORS OF ANDROGEN RECEPTOR FUNCTION AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-29 WO disclosed
WO-2005086735-A2 NOVEL BICYCLIC COMPOUNDS AS MODULATORS OF ANDROGEN RECEPTOR FUNCTION AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-22 WO disclosed
US-20050197367-A1 Novel bicyclic compounds as modulators of androgen receptor function and method BRISTOL-MYERS SQUIBB COMPANY 2005-09-08 US disclosed
US-20050153968-A1 Monocyclic N-aryl hydantoin modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2005-07-14 US disclosed
WO-2005049580-A1 MONOCYCLIC N-ARYL HYDANTOIN MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 WO 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 (7 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 HTT 2194/4885GAA 3304/4885KDM4E 1161/4885
US-20080096954-A1 Novel Bicyclic Compounds As Modulators of Androgen Receptor Function And Method AR, NR5A1, ESRRA HTT 3719/4885GAA 3365/4885KDM4E 2335/4885
US-20050197367-A1 Novel bicyclic compounds as modulators of androgen receptor function and method AR, NR5A1, ESRRA HTT 3216/4885GAA 3343/4885KDM4E 2322/4885
US-20040181064-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA HTT 2277/4885GAA 2937/4885KDM4E 1539/4885
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION AR, ESRRA, SHBG HTT 2061/4885GAA 1960/4885KDM4E 1108/4885
US-20080103188-A1 NOVEL BICYCLIC COMPOUNDS AS MODULATORS OF ANDROGEN RECEPTOR FUNCTION AR, ESRRA, NR5A1 HTT 2931/4885GAA 3159/4885KDM4E 1405/4885
US-20050153968-A1 Monocyclic N-aryl hydantoin modulators of androgen receptor function AR, NR5A1, CYP19A1 HTT 664/4885GAA 1667/4885KDM4E 1434/4885

“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.