SCHEMBL1658631

SCHEMBL1658631

CCn1nc(-c2cccc(Br)c2)cc1Oc1ccc(C(OC)OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.39
PDE4B Q07343 1/20 0.38
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CASP3 P42574 2/20 0.35
SENP8 Q96LD8 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
HCRTR1 O43613 1/20 0.35
MCL1 Q07820 1/20 0.34
TP53 P04637 2/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1659865 0.84 CYP1A2 (0.38) TSHRUSP2MAPK1ALDH1A1CTSS
SCHEMBL1661537 0.83 GPR55 (0.32) GPR55
SCHEMBL1660633 0.81 SLC6A4 (0.40) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL1661852 0.81 PDE4B (0.41) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL6902872 0.80
SCHEMBL1658584 0.73 CTSS (0.38) SMN1; SMN2LMNATSHRUSP2ALDH1A1
SCHEMBL1660738 0.73 HTR2A (0.34) KMT2A
SCHEMBL1659828 0.72 CRHR1 (0.33) GPR55RXFP1
SCHEMBL6902741 0.70 MEN1 (0.41) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL1659958 0.69 SMN1; SMN2 (0.38) SMN1; SMN2LMNAMEN1KMT2AMAPT

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 9 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-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
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 SMN1; SMN2 3441/4885LMNA 2158/4885MEN1 2290/4885

“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.