SCHEMBL1067701

SCHEMBL1067701

O=C1C=CC(=O)C(OBr)=C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.58
MAOA P21397 5/20 0.44
MAOB P27338 5/20 0.44
TDP1 Q9NUW8 3/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
RECQL P46063 2/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 3/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
MCL1 Q07820 1/20 0.38
HSD17B3 P37058 1/20 0.35
BCHE P06276 1/20 0.35
POLB P06746 1/20 0.35
ACHE P22303 1/20 0.35
APEX1 P27695 1/20 0.35

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
SCHEMBL1957619 0.74 ERBB2 (0.58) ERBB2MAOAMAOBTDP1MEN1
SCHEMBL49620 0.74 ERBB2 (1.00) ERBB2MAOAMAOBTDP1MEN1
SCHEMBL27645404 0.74 ERBB2 (0.58) ERBB2MAOAMAOBTDP1MEN1
SCHEMBL28861798 0.74 ERBB2 (0.58) ERBB2MAOAMAOBTDP1MEN1
SCHEMBL8582510 0.73 ERBB2 (0.58) ERBB2MAOAMAOBTDP1MEN1
SCHEMBL8582723 0.72 ERBB2 (0.50) ERBB2MAOAMAOBTDP1MEN1
SCHEMBL20087538 0.72 MAOA (0.57) ERBB2MAOAMAOBTDP1MEN1
SCHEMBL28113764 0.70 ERBB2 (0.91) ERBB2MAOAMAOBTDP1MEN1
SCHEMBL899103 0.70 ERBB2 (0.54) ERBB2MAOAMAOBTDP1MEN1
SCHEMBL1524084 0.69 ERBB2 (0.58) ERBB2MAOAMAOBTDP1MEN1

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-20130011495-A1 ANTIFUNGAL COMPOUNDS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS- (FR) 2013-01-10 US disclosed
EP-2453745-A2 ANTIFUNGAL COMPOUNDS AND USE THEREOF Centre National de la Recherche Scientifique (FR) 2012-05-23 EP disclosed
WO-2011007104-A2 ANTIFUNGAL COMPOUNDS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-01-20 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-20130011495-A1 ANTIFUNGAL COMPOUNDS AND USE THEREOF SCLY, SUCLG1, ACSL3 ERBB2 3379/4885MAOA 778/4885MAOB 1191/4885

“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.