SCHEMBL2962446

SCHEMBL2962446

O=[N+]([O-])c1cccc(C2COCCO2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
TSHR P16473 1/20 0.46
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MGLL Q99685 1/20 0.41
SLC9A1 P19634 1/20 0.40

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
SCHEMBL16824940 0.88 LMNA (0.55) LMNATSHRALDH1A1KDM4ENPC1
SCHEMBL177270 0.88 LMNA (0.55) LMNATSHRALDH1A1KDM4ENPC1
SCHEMBL177269 0.88 LMNA (0.55) LMNATSHRALDH1A1KDM4ENPC1
SCHEMBL7975528 0.81 ALDH1A1 (0.42) LMNAALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL4169410 0.80 ALDH1A1 (0.58) LMNATSHRALDH1A1KDM4ENPC1
SCHEMBL28351479 0.78 HTT (0.39) TSHRALDH1A1KDM4ENPC1RAB9A
SCHEMBL5058415 0.77 DRD2 (0.59) LMNATSHRALDH1A1KDM4EMEN1
SCHEMBL23123761 0.76 LMNA (0.54) LMNATSHRALDH1A1KDM4ENPC1
SCHEMBL28579765 0.74 LMNA (0.46) LMNATSHRALDH1A1KDM4ENPC1
SCHEMBL28670720 0.74 ALDH1A1 (0.45) LMNATSHRALDH1A1KDM4ESMN1; SMN2

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 LMNA 1370/4885TSHR 491/4885ALDH1A1 1211/4885
US-20040181064-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA LMNA 1250/4885TSHR 387/4885ALDH1A1 1051/4885
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION AR, ESRRA, SHBG LMNA 953/4885TSHR 408/4885ALDH1A1 1002/4885

“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.