SCHEMBL1822978

SCHEMBL1822978

O=C(C=Cc1ccccn1)c1cc(Br)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 1.00
KDM4E B2RXH2 4/20 1.00
HSP90AA1 P07900 3/20 1.00
ALDH1A1 P00352 3/20 1.00
NPSR1 Q6W5P4 3/20 1.00
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
AR P10275 5/20 0.64
OPRK1 P41145 1/20 0.60
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
CYP1B1 Q16678 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
APEX1 P27695 1/20 0.48

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
SCHEMBL12246275 1.00 MAPT (1.00) MAPTKDM4EHSP90AA1ALDH1A1NPSR1
SCHEMBL1933659 0.89 MAPT (1.00) MAPTKDM4EHSP90AA1ALDH1A1NPSR1
SCHEMBL1933655 0.89 MAPT (1.00) MAPTKDM4EHSP90AA1ALDH1A1NPSR1
SCHEMBL22099883 0.85 MAPT (0.74) MAPTKDM4EHSP90AA1ALDH1A1NPSR1
SCHEMBL28884489 0.84 MAPT (0.78) MAPTKDM4EHSP90AA1ALDH1A1NPSR1
SCHEMBL7960952 0.83 KDM4E (0.71) MAPTKDM4EHSP90AA1ALDH1A1NPSR1
SCHEMBL6292775 0.82 HSP90AA1 (1.00) MAPTKDM4EHSP90AA1ALDH1A1NPSR1
SCHEMBL27588358 0.81 MAPT (0.68) MAPTKDM4EHSP90AA1ALDH1A1NPSR1
SCHEMBL17975277 0.80 MAPT (0.67) MAPTKDM4EHSP90AA1ALDH1A1NPSR1
SCHEMBL19603513 0.80 MAPT (0.67) MAPTKDM4EHSP90AA1ALDH1A1NPSR1

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-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 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
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 US disclosed
EP-2324032-A2 INHIBITORS OF BETA-SECRETASE Vitae Pharmaceuticals, Inc. (US) 2011-05-25 EP disclosed
WO-2010021680-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-02-25 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 (2 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 61/4885KDM4E 3004/4885HSP90AA1 3662/4885
US-20130317014-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, APP MAPT 61/4885KDM4E 3004/4885HSP90AA1 3662/4885

“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.