SCHEMBL503089

SCHEMBL503089

Nc1nc(Br)c(Br)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
NQO1 P15559 1/20 0.35
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.30
APAF1 O14727 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
THRB P10828 1/20 0.30
NR4A1 P22736 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
PTPN11 Q06124 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL17299128 0.81 KMT2A (0.36) HTTKMT2ANQO1MAPTL3MBTL1
SCHEMBL10397963 0.78 NQO2 (0.33)
SCHEMBL17298243 0.77 NOS3 (0.38) HTTKMT2ANQO1MAPTL3MBTL1
SCHEMBL2400774 0.74 HTT (0.39) HTTKMT2ANQO1MAPTGAA
SCHEMBL29693601 0.74 LMNA (0.46) HTTKMT2ANQO1MAPTGAA
SCHEMBL2401968 0.74 LMNA (0.46) HTTKMT2ANQO1MAPTGAA
SCHEMBL30859069 0.74 HTT (0.44) HTTKMT2ANQO1MAPTGAA
SCHEMBL20743143 0.72 HTT (0.42) HTTKMT2ANQO1MAPTL3MBTL1
SCHEMBL29951476 0.70 HTT (0.37) HTTKMT2A
SCHEMBL4051209 0.69 ALDH1A1 (0.47) KMT2AMAPTTDP1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0199060-A2 Pyridyl phosphoric-acid esters Shell Agrar GmbH & Co. KG (DE) 1986-10-29 EP claimed
EP-2404918-B1 PYRIDINE DERIVATIVE AS PPARY INHIBITOR DAIICHI SANKYO CO LTD (JP) 2016-11-30 EP disclosed
US-8946264-B2 Pyridine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-03 US disclosed
US-20130204009-A1 PROCESS FOR PREPARING BENZOIC ACID ESTERS DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-08-08 US disclosed
EP-2615081-A1 PROCESS FOR PREPARING BENZOIC ACID ESTERS DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-17 EP disclosed
US-20130045994-A1 PYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-21 US disclosed
US-20120029026-A1 PYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-02 US disclosed
EP-2404918-A1 PYRIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-11 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 (3 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-20130204009-A1 PROCESS FOR PREPARING BENZOIC ACID ESTERS HPD, CYP2B6, PAH HTT 1699/4885KMT2A 825/4885NQO1 1466/4885
US-20120029026-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA HTT 3517/4885KMT2A 3426/4885NQO1 657/4885
US-20130045994-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA HTT 3517/4885KMT2A 3426/4885NQO1 657/4885

“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.