SCHEMBL1933659

SCHEMBL1933659

O=C(C=Cc1ccccn1)c1ccc(Br)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 1.00
KDM4E B2RXH2 5/20 1.00
ALDH1A1 P00352 4/20 0.80
HSP90AA1 P07900 3/20 0.80
NPSR1 Q6W5P4 2/20 0.80
CYP1B1 Q16678 1/20 0.56
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
OPRK1 P41145 1/20 0.51
AR P10275 1/20 0.50
MAOB P27338 1/20 0.47
THRB P10828 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL1933655 1.00 MAPT (1.00) MAPTKDM4EALDH1A1HSP90AA1NPSR1
SCHEMBL12246275 0.89 MAPT (1.00) MAPTKDM4EALDH1A1HSP90AA1NPSR1
SCHEMBL1822978 0.89 MAPT (1.00) MAPTKDM4EALDH1A1HSP90AA1NPSR1
SCHEMBL28884489 0.87 MAPT (0.78) MAPTKDM4EALDH1A1HSP90AA1NPSR1
SCHEMBL30736472 0.86 MAPT (0.75) MAPTKDM4EALDH1A1HSP90AA1NPSR1
SCHEMBL31436325 0.86 MAPT (0.75) MAPTKDM4EALDH1A1HSP90AA1NPSR1
SCHEMBL22099883 0.82 MAPT (0.74) MAPTKDM4EALDH1A1HSP90AA1NPSR1
SCHEMBL6292775 0.82 HSP90AA1 (1.00) MAPTKDM4EALDH1A1HSP90AA1NPSR1
SCHEMBL25223386 0.80 MAPT (0.72) MAPTKDM4EALDH1A1HSP90AA1NPSR1
SCHEMBL13720093 0.80 MAPT (0.72) MAPTKDM4EALDH1A1HSP90AA1NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls NOVARTIS AG (CH) 2012-11-15 US disclosed
EP-2504339-A1 BENZENE-FUSED 6-MEMBERED OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES OF BICYCLIC HETEROARYLS Novartis AG (CH) 2012-10-03 EP disclosed
WO-2011064211-A1 BENZENE-FUSED 6-MEMBERED OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2011-06-03 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-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls CYP1B1, CYP11B2, CCNI MAPT 3472/4885KDM4E 1662/4885ALDH1A1 385/4885

“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.