SCHEMBL79509

SCHEMBL79509

Fc1ccc(CCCBr)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.43
PNMT P11086 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
IGF1R P08069 2/20 0.41
ALOX15 P16050 2/20 0.41
SIGMAR1 Q99720 3/20 0.40
PIK3CA P42336 1/20 0.40
MEN1 O00255 1/20 0.36
PLA2G1B P04054 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
RPA1 P27694 1/20 0.35
SOS1 Q07889 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
SCHEMBL27814750 0.88 TAAR1 (0.45) DAOPNMTTAAR1SIGMAR1PIK3CA
SCHEMBL20019811 0.82 TAAR1 (0.53) DAOPNMTTAAR1IGF1RALOX15
SCHEMBL80232 0.82 DAO (0.42) DAOIGF1RALOX15
SCHEMBL79213 0.82 IGF1R (0.58) PNMTTAAR1IGF1RALOX15SIGMAR1
Hydrochloric Acid SCHEMBL15518193 0.81 TAAR1 (0.52) DAOPNMTTAAR1IGF1RALOX15
SCHEMBL80687 0.81 IGF1R (0.44) DAOPNMTTAAR1IGF1RALOX15
SCHEMBL16954102 0.81 DAO (0.43) DAOPNMTTAAR1IGF1RALOX15
SCHEMBL14671446 0.81 GLA (0.47) DAOPNMTTAAR1IGF1RALOX15
SCHEMBL29354626 0.79 PIK3CA (0.44) DAOPNMTTAAR1PIK3CAMEN1
SCHEMBL118390 0.79 PIK3CA (0.44) DAOPNMTTAAR1PIK3CAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10175905-A None JP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 WO disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
CN-101730677-A Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-06-09 CN disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
JP-H10175905-A 1-ALKOXY-3-(4-FLUORO-3-PHENOXYPHENYL)PROPANE, ITS PRODUCTION AND USE THEREOF SUMITOMO CHEM CO LTD 1998-06-30 JP 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-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS DAO 2115/4885PNMT 2757/4885TAAR1 3574/4885
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C DAO 755/4885PNMT 59/4885TAAR1 197/4885

“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.