SCHEMBL2376112

SCHEMBL2376112

O=C(C=Cc1ccccc1)c1cc(Br)ccc1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.74
NPSR1 Q6W5P4 3/20 0.74
MAOB P27338 2/20 0.74
L3MBTL1 Q9Y468 2/20 0.74
MAOA P21397 1/20 0.74
GUSB P08236 1/20 0.72
ALDH1A1 P00352 3/20 0.72
KDM4E B2RXH2 2/20 0.72
HSP90AA1 P07900 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
LMNA P02545 1/20 0.72
POLB P06746 1/20 0.72
THRB P10828 1/20 0.72
HPGD P15428 1/20 0.72
ALOX12 P18054 1/20 0.72
APEX1 P27695 1/20 0.72
HTT P42858 1/20 0.72
RECQL P46063 1/20 0.72

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
SCHEMBL7956659 1.00 MAPT (0.74) MAPTNPSR1MAOBL3MBTL1MAOA
SCHEMBL25223386 0.88 MAPT (0.72) MAPTNPSR1MAOBL3MBTL1MAOA
SCHEMBL13720093 0.88 MAPT (0.72) MAPTNPSR1MAOBL3MBTL1MAOA
SCHEMBL28906335 0.87 MAPT (0.72) MAPTNPSR1MAOBL3MBTL1MAOA
SCHEMBL5424561 0.85 MAOB (0.74) MAPTNPSR1MAOBL3MBTL1MAOA
SCHEMBL19603333 0.85 MAPT (1.00) MAPTNPSR1MAOBL3MBTL1MAOA
SCHEMBL2374997 0.85 MAPT (0.70) MAPTNPSR1MAOBL3MBTL1MAOA
SCHEMBL2374989 0.85 MAPT (0.70) MAPTNPSR1MAOBL3MBTL1MAOA
SCHEMBL5424563 0.85 MAOB (0.74) MAPTNPSR1MAOBL3MBTL1MAOA
SCHEMBL1822452 0.84 STAT3 (0.67) MAPTNPSR1MAOBL3MBTL1MAOA

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-9085520-B2 Composition for treating diabetes and metabolic diseases and a preparation method thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2015-07-21 US disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-20140350304-A1 COMPOSITION FOR TREATING DIABETES AND METABOLIC DISEASES AND A PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2014-11-27 US disclosed
EP-2324032-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2014-10-01 EP disclosed
US-20130317014-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2013-11-28 US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
WO-2013022951-A1 COMPOSITION FOR TREATING DIABETES AND METABOLIC DISEASES AND A PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-02-14 WO disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 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 (3 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-20110218192-A1 Inhibitors Of Beta-Secretase BACE1, BACE2, APP MAPT 61/4885NPSR1 1721/4885MAOB 681/4885
US-20140350304-A1 COMPOSITION FOR TREATING DIABETES AND METABOLIC DISEASES AND A PREPARATION METHOD THEREOF FABP1, GYS2, CYP7B1 MAPT 4070/4885NPSR1 4550/4885MAOB 3332/4885
US-20130317014-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, APP MAPT 61/4885NPSR1 1721/4885MAOB 681/4885

“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.