SCHEMBL1658626

SCHEMBL1658626

CCn1[nH]c(-c2cncc(Br)c2)cc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTK2 Q05397 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP11B2 P19099 1/20 0.35
KDM4E B2RXH2 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 4/20 0.34
CYP2A6 P11509 2/20 0.34
POLB P06746 2/20 0.33
HTT P42858 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
THRB P10828 1/20 0.33
TNIK Q9UKE5 1/20 0.33
PTGS2 P35354 1/20 0.33
CASP3 P42574 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
SCHEMBL23401624 0.71 MEN1 (0.71) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL23400223 0.70 MEN1 (0.53) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8443792 0.70 MEN1 (0.44) MEN1KMT2ACYP11B2KDM4ESMN1; SMN2
SCHEMBL23399596 0.67 MEN1 (0.52) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL1505992 0.66 MAPT (0.56) MEN1KMT2APTK2TDP1CYP11B2
SCHEMBL2823264 0.65 PDE4B (0.43) MEN1KMT2ACYP11B2KDM4ESMN1; SMN2
SCHEMBL14392676 0.64 CYP2A6 (0.61) PTK2RAB9ACYP11B2KDM4ECYP2A6
SCHEMBL1659883 0.63 KDM4E (0.50) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL23399375 0.62 MEN1 (0.47) MEN1KMT2ANPC1RAB9AKDM4E
Benzene SCHEMBL27682163 0.61 KCNH2 (0.41) PTK2CYP11B2KDM4ELMNAMAPT

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 MEN1 2290/4885KMT2A 1364/4885PTK2 4200/4885

“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.