SCHEMBL1349865

SCHEMBL1349865

CC(c1ccccc1)n1ccnc1C(c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46
BRD4 O60885 2/20 0.46
OPRD1 P41143 4/20 0.41
OPRK1 P41145 2/20 0.41
MET P08581 2/20 0.40
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
OPRM1 P35372 1/20 0.39
CYP17A1 P05093 1/20 0.37

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
SCHEMBL1349694 0.87 BRD4 (0.40) MEN1HPGDKMT2AHSD17B10KDM4E
SCHEMBL1348736 0.87 BRD4 (0.40) MEN1HPGDKMT2AHSD17B10KDM4E
SCHEMBL20569604 0.85 KDM4E (0.53) MEN1HPGDKMT2AHSD17B10KDM4E
SCHEMBL1348700 0.83 ATP1A1 (0.42) MEN1HPGDKMT2AHSD17B10KDM4E
Efetozole SCHEMBL2109012 0.79 BRD4 (0.51) MEN1HPGDKMT2AHSD17B10KDM4E
Efetozole SCHEMBL21698044 0.79 BRD4 (0.51) MEN1HPGDKMT2AHSD17B10KDM4E
Efetozole SCHEMBL10996922 0.77 BRD4 (0.50) MEN1HPGDKMT2AHSD17B10KDM4E
SCHEMBL28780266 0.77 ALDH1A1 (0.47) MEN1HPGDKMT2AHSD17B10KDM4E
SCHEMBL27762347 0.77 ALDH1A1 (0.47) MEN1HPGDKMT2AHSD17B10KDM4E
SCHEMBL27881082 0.77 MEN1 (0.47) MEN1HPGDKMT2AHSD17B10KDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063090-B2 Mineralocorticoid receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-11-22 US claimed
US-20100069452-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-18 US claimed
EP-2139489-A2 MINERALOCORTICOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2010-01-06 EP claimed
WO-2008118319-A2 MINERALOCORTICOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-10-02 WO claimed
US-8063090-B2 Mineralocorticoid receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-11-22 US disclosed
US-8063090-B2 Mineralocorticoid receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-11-22 US disclosed
US-8063090-B2 Mineralocorticoid receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-11-22 US disclosed
US-20100069452-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-18 US disclosed
US-20100069452-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-18 US disclosed
US-20100069452-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-18 US disclosed
EP-2139489-A2 MINERALOCORTICOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2010-01-06 EP disclosed
WO-2008118319-A2 MINERALOCORTICOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-10-02 WO disclosed
WO-2008118319-A2 MINERALOCORTICOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-10-02 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 (1 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-20100069452-A1 MINERALOCORTICOID RECEPTOR MODULATORS NR3C2, MC2R, NR3C1 MEN1 1380/4885HPGD 490/4885KMT2A 2109/4885

“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.