SCHEMBL4294454

SCHEMBL4294454

O=Cc1cccc(Oc2ccccc2Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAOA P21397 7/20 0.48
MAOB P27338 7/20 0.48
TTR P02766 1/20 0.46
SRC P12931 1/20 0.46
GAA P10253 2/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL3839158 0.82 ALDH1A1 (0.44) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL18304466 0.81 MAPT (0.49) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL4298894 0.81 ALDH1A1 (0.49) ALDH1A1MAPTLMNAKMT2ATTR
SCHEMBL30644948 0.80 TTR (0.50) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL2075852 0.80 TTR (0.67) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL4233381 0.80 TTR (0.50) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL30458091 0.80 MAPT (0.49) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL5896124 0.80 MAPT (0.49) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL2537253 0.80 MAOA (0.51) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL6849018 0.80 SRC (0.60) ALDH1A1MAPTLMNAKMT2AMEN1

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-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS BONFANTI JEAN-FRANCOIS 2009-09-03 US disclosed
EP-1937272-A2 BENZODIAZEPINES AS HCV INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2008-07-02 EP disclosed
WO-2007026024-A2 BENZODIAZEPINES AS HCV INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-03-08 WO disclosed
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 US disclosed
US-4242357-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-30 US disclosed
US-4212829-A Preparation of m-(p-bromophenoxy)benzaldehyde SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-07-15 US disclosed
EP-0003427-A1 Preparation of m-(p-bromophenoxy)benzaldehyde SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-08-08 EP 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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 ALDH1A1 1071/4885MAPT 3042/4885LMNA 4603/4885
US-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS GABRA5, GABRA4, GABRA3 ALDH1A1 372/4885MAPT 1578/4885LMNA 3183/4885

“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.