SCHEMBL2306080

SCHEMBL2306080

COc1ccc(CNC(=O)c2cc(Br)ccc2I)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 2/20 0.57
APEX1 P27695 1/20 0.56
LMNA P02545 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NR1H4 Q96RI1 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL6942189 0.85 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AALDH1A1APEX1LMNA
SCHEMBL10107716 0.79 APEX1 (0.66) SMN1; SMN2KMT2AALDH1A1APEX1LMNA
SCHEMBL21296258 0.78 HPGD (0.69) SMN1; SMN2KMT2AALDH1A1APEX1LMNA
SCHEMBL2314409 0.77 GALR3 (0.65) SMN1; SMN2ALDH1A1LMNAL3MBTL1RECQL
SCHEMBL15300449 0.77 KMT2A (0.53) SMN1; SMN2KMT2AALDH1A1APEX1NR1H4
SCHEMBL16651061 0.77 HPGD (0.70) SMN1; SMN2KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL11469323 0.77 POLB (0.67) ALDH1A1APEX1L3MBTL1NR1H4POLB
SCHEMBL16135593 0.76 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AALDH1A1APEX1LMNA
SCHEMBL2683893 0.76 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AALDH1A1APEX1LMNA
SCHEMBL6168711 0.75 KMT2A (0.43) KMT2AL3MBTL1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349262-B1 2,5-DISUBSTITUTED PHENYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-25 EP disclosed
EP-2349262-B1 2,5-DISUBSTITUTED PHENYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-25 EP disclosed
US-8399494-B2 2,5-disubstituted phenyl carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-8399494-B2 2,5-disubstituted phenyl carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-8399494-B2 2,5-disubstituted phenyl carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-20110207747-A1 2,5-Disubstituted Phenyl Carboxamide Orexin Receptor Antagonists MERCK & CO., INC. 2011-08-25 US disclosed
US-20110207747-A1 2,5-Disubstituted Phenyl Carboxamide Orexin Receptor Antagonists MERCK & CO., INC. 2011-08-25 US disclosed
US-20110207747-A1 2,5-Disubstituted Phenyl Carboxamide Orexin Receptor Antagonists MERCK & CO., INC. 2011-08-25 US disclosed
EP-2349262-A1 2,5-DISUBSTITUTED PHENYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2011-08-03 EP disclosed
WO-2010051237-A1 2,5-DISUBSTITUTED PHENYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO disclosed
WO-2010051237-A1 2,5-DISUBSTITUTED PHENYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 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-20110207747-A1 2,5-Disubstituted Phenyl Carboxamide Orexin Receptor Antagonists HCRTR2, HCRTR1, CRHR2 SMN1; SMN2 2353/4885KMT2A 646/4885ALDH1A1 3117/4885

“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.