SCHEMBL13281112

SCHEMBL13281112

O=C(O)Cn1nc(Cc2ccc(Cl)cc2)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
HSD17B10 Q99714 1/20 0.53
ADRA1A P35348 6/20 0.52
HRH1 P35367 6/20 0.52
ADRA1B P35368 6/20 0.52
HRH3 Q9Y5N1 3/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.48
CMA1 P23946 2/20 0.48
KCNH2 Q12809 1/20 0.47
AKR1B1 P15121 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL16085840 0.89 TSHR (0.50) TSHRHSD17B10ADRA1AHRH1ADRA1B
SCHEMBL14979185 0.88 PTGDR2 (0.51) TSHRPTGDR2AKR1B1
SCHEMBL13464823 0.85 KDM4E (0.56) TSHRADRA1AHRH1ADRA1BHRH3
SCHEMBL13464824 0.83 ADRA1A (0.50) TSHRHSD17B10ADRA1AHRH1ADRA1B
SCHEMBL3354746 0.77 HSD17B10 (0.61) TSHRHSD17B10CMA1AKR1B1LMNA
SCHEMBL16153722 0.77 PTGDR2 (0.51) TSHRPTGDR2
SCHEMBL14979209 0.77 PTGDR2 (0.50) TSHRPTGDR2ALOX15
SCHEMBL6451102 0.76 HSD17B10 (0.60) TSHRHSD17B10CMA1AKR1B1LMNA
SCHEMBL18860784 0.76 KMT2A (0.54) TSHRADRA1AHRH1ADRA1BHRH3
SCHEMBL16085847 0.75 CYP1A2 (0.53) TSHRADRA1AHRH1ADRA1BHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697203-B1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-05-24 EP claimed
US-9487506-B2 Mineralocorticoid receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 US claimed
US-20140336224-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2014-11-13 US claimed
EP-2697203-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corporation (US) 2014-02-19 EP claimed
WO-2012139495-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-10-18 WO claimed
EP-2697203-B1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-05-24 EP disclosed
US-9487506-B2 Mineralocorticoid receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-20140336224-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2014-11-13 US disclosed
EP-2697203-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corporation (US) 2014-02-19 EP disclosed
WO-2012139495-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-10-18 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-20140336224-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS NR3C2, MC2R, CYP21A2 TSHR 222/4885HSD17B10 215/4885ADRA1A 44/4885

“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.