SCHEMBL2964763

SCHEMBL2964763

CC(=O)Nc1ccc(C(N)=O)c2c1CCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.48
SIRT2 Q8IXJ6 1/20 0.40
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
PTK2 Q05397 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
BTK Q06187 1/20 0.37
CASP1 P29466 1/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL1435852 0.87 HSD17B10 (0.48) KDM4EHSD17B10ALDH1A1ALOX15NPC1
SCHEMBL1435901 0.84 SMN1; SMN2 (0.41) KDM4EHSD17B10ALDH1A1ALOX15NPC1
SCHEMBL12811926 0.84 KDM4E (0.39) KDM4EHSD17B10ALDH1A1ALOX15NPC1
SCHEMBL2965600 0.79 HSD17B10 (0.46) KDM4EHSD17B10ALDH1A1ALOX15NPC1
SCHEMBL2964233 0.77 ALDH1A1 (0.40) KDM4EHSD17B10ALDH1A1ALOX15NPC1
SCHEMBL5319541 0.77 KDM4E (0.41) KDM4EHSD17B10ALDH1A1ALOX15NPC1
SCHEMBL7332522 0.76 KDM4E (0.40) KDM4EHSD17B10ALDH1A1ALOX15NPC1
SCHEMBL28518989 0.75 ADRA2A (0.37) KDM4EHSD17B10ALDH1A1ALOX15NPC1
SCHEMBL30450886 0.74 PARP1 (0.54) PARP1NPC1RAB9A
SCHEMBL13216300 0.74 ALDH1A1 (0.41) KDM4EHSD17B10ALDH1A1ALOX15NPC1

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 8 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-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
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 PARP1 2629/4885SIRT2 743/4885KDM4E 1161/4885
US-20040181064-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA PARP1 2254/4885SIRT2 835/4885KDM4E 1539/4885
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION AR, ESRRA, SHBG PARP1 2382/4885SIRT2 848/4885KDM4E 1108/4885

“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.