SCHEMBL1658685

SCHEMBL1658685

CCn1nc(Oc2ccc(F)cc2[N+](=O)[O-])cc1-c1cccc(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SCN9A Q15858 9/20 0.41
HSPB1 P04792 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CYP19A1 P11511 1/20 0.35
LRRK2 Q5S007 1/20 0.35
KCNK3 O14649 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL1661497 0.84 MEN1 (0.42) MEN1KMT2ASCN9AHSPB1ALDH1A1
SCHEMBL1661737 0.84 SCN9A (0.39) SCN9AKCNK3CYP11B1CYP11B2
SCHEMBL1659890 0.80 GABRG2 (0.40) MEN1KMT2ASCN9AKCNK3CYP11B1
SCHEMBL1659949 0.71 SCN9A (0.42) SCN9A
SCHEMBL5387429 0.70 PTGS1 (0.45) SCN9ACYP19A1CYP11B1CYP11B2
SCHEMBL5394734 0.69 CYP11B1 (0.42) ALDH1A1KCNK3CYP11B1CYP11B2
SCHEMBL1659906 0.67 GABRG2 (0.39) SCN9AALDH1A1KCNK3
SCHEMBL5392085 0.66 CLK4 (0.40) ALDH1A1CYP11B1CYP11B2
SCHEMBL693017 0.66 MEN1 (0.56) MEN1KMT2AHSPB1LRRK2
SCHEMBL5386649 0.66 NOTUM (0.45) ALDH1A1CYP11B2

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 7 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 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
EP-2488031-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-08-22 EP disclosed
WO-2011046774-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-21 WO disclosed
WO-2011046774-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-21 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-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS BACE1, BACE2, GSAP MEN1 2290/4885KMT2A 1364/4885SCN9A 1887/4885

“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.