SCHEMBL5113547

SCHEMBL5113547

O=C(O)Nc1ccccc1-c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
CYP1A2 P05177 2/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL4359338 0.85 CYP1A2 (0.56) MAPTKDM4EPKMMEN1KMT2A
SCHEMBL5107090 0.84 CHRM3 (0.49) MAPTKDM4EMEN1KMT2AHPGD
SCHEMBL2097652 0.84 CYP1A2 (0.62) MAPTKDM4EMEN1KMT2ACYP1A2
SCHEMBL12496930 0.82 GSK3A (0.55) KDM4ENPC1RAB9AALDH1A1HTT
SCHEMBL21052163 0.82 CHRM2 (0.55) MAPTMEN1KMT2AHPGDLMNA
Fluoride SCHEMBL11753083 0.82 CYP1A2 (0.60) MAPTKDM4EMEN1KMT2ACYP1A2
SCHEMBL17797029 0.80 MAPT (0.52) MAPTKDM4EPKMMEN1KMT2A
Bicarbonate SCHEMBL4865957 0.79 CYP2A6 (0.59) MAPTMEN1KMT2AHPGDLMNA
Bicarbonate SCHEMBL11009844 0.79 CYP2A6 (0.59) MAPTMEN1KMT2AHPGDLMNA
SCHEMBL4009983 0.79 ESR2 (0.53) MAPTKDM4EKMT2ACYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3029026-B1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG A ST CO LTD (KR) 2018-12-05 EP claimed
US-9828339-B2 Biphenyl derivatives and methods for preparing same DONG-A ST CO., LTD (KR) 2017-11-28 US claimed
US-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG-A ST CO., LTD (KR) 2016-06-23 US claimed
EP-3029026-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME Dong-A ST Co., Ltd. (KR) 2016-06-08 EP claimed
EP-3029026-B1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG A ST CO LTD (KR) 2018-12-05 EP disclosed
US-9828339-B2 Biphenyl derivatives and methods for preparing same DONG-A ST CO., LTD (KR) 2017-11-28 US disclosed
US-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG-A ST CO., LTD (KR) 2016-06-23 US disclosed
EP-3029026-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME Dong-A ST Co., Ltd. (KR) 2016-06-08 EP disclosed
US-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists LAINE DRAMANE I 2008-10-09 US 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-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME CHRM2, CHRM3, CHRM5 MAPT 694/4885KDM4E 3957/4885PKM 3789/4885
US-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 MAPT 4036/4885KDM4E 3835/4885PKM 4241/4885

“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.