Sugi Predict

Sugi Predict / Compounds / SCHEMBL1662618

SCHEMBL1662618

SCHEMBL1662618

CC(C)(C)[Si](C)(C)OCCn1nc(-c2cccc(Br)c2)cc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RET P07949 1/20 0.34
▸ PRKX P51817 1/20 0.34
▸ TAOK1 Q7L7X3 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ CXCR1 P25024 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ RAD51 Q06609 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ SENP8 Q96LD8 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
SCHEMBL1659958 0.83 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2ASLC6A4LMNA
SCHEMBL1660633 0.83 SLC6A4 (0.40) SMN1; SMN2MEN1KMT2ASLC6A4LMNA
SCHEMBL1659866 0.72 GPR55 (0.39) CXCR1SCN9AKDM4EHPGDTDP1
SCHEMBL6902741 0.70 MEN1 (0.41) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL1661724 0.70 SLC6A4 (0.37) SLC6A4LMNAMAPTTHRBPDE4B
SCHEMBL1661561 0.69 PTGDR2 (0.40) LMNATRPA1SCN9AKDM4E
SCHEMBL14718481 0.67 SCN9A (0.34) SMN1; SMN2TRPA1SCN9A
SCHEMBL1658657 0.67 SLC6A4 (0.40) SLC6A4TRPA1THRBSCN9ANPSR1
SCHEMBL1661852 0.67 PDE4B (0.41) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL6902269 0.67 P2RY14 (0.33) SCN9A

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-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

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 3441/4885MEN1 2290/4885KMT2A 1364/4885

“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.