SCHEMBL14717728

SCHEMBL14717728

CCn1nc(-c2cccc(C(C)(C)NS(=O)(=O)CC(F)(F)F)c2)cc1Oc1ccc(CNCc2ccccn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 6/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CA2 P00918 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 2/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 2/20 0.32
SCN9A Q15858 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
GNRHR P30968 1/20 0.31
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
ADAM17 P78536 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL1662376 0.92 PPARA (0.36) ALDH1A1SMN1; SMN2MEN1KMT2APPARG
SCHEMBL14717913 0.90 PPARG (0.34) SMN1; SMN2PPARGPPARDPPARASCN9A
SCHEMBL14718002 0.87 ALDH1A1 (0.39) L3MBTL1ALDH1A1
SCHEMBL14717999 0.86 ELANE (0.33) ALDH1A1PPARGPPARDPPARASCN9A
SCHEMBL14718606 0.86 CETP (0.31) ALDH1A1SCN9A
SCHEMBL1661812 0.86 CETP (0.37) ALDH1A1SMN1; SMN2SCN9ALMNAGAA
SCHEMBL1660391 0.86 F2 (0.35) ALDH1A1MEN1KMT2APPARGPPARD
SCHEMBL14717937 0.85 GAA (0.37) L3MBTL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1658567 0.85 NR1H2 (0.35) ALDH1A1PPARGPPARDPPARASCN9A
SCHEMBL14718157 0.85 PPARA (0.34) L3MBTL1ALDH1A1PPARGPPARDPPARA

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-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 US claimed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 US claimed
US-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 US disclosed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 US disclosed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 US 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-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS BACE1, BACE2, GSAP L3MBTL1 3644/4885ALDH1A1 2490/4885SMN1; SMN2 3441/4885

“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.