SCHEMBL5113281

SCHEMBL5113281

N#Cc1cccc(-c2ccccc2NC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.53
XDH P47989 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
ADRA2C P18825 1/20 0.47
KAT6A Q92794 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
F11 P03951 1/20 0.44
PIN1 Q13526 1/20 0.44
ALDH1A1 P00352 4/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
PARP14 Q460N5 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL8981857 0.85 CHRM3 (0.53) CHRM3SLC22A12ADRA2CNPSR1
SCHEMBL6164465 0.84 LMNA (0.64) CHRM3LMNAALDH1A1MEN1HPGD
SCHEMBL10344931 0.83 PTGDR2 (0.58) CHRM3XDHSLC22A12HTTLMNA
SCHEMBL16438665 0.83 CHRM3 (0.45) CHRM3XDHSLC22A12PTGDR2F11
SCHEMBL6164487 0.83 MAPT (0.62) CHRM3HTTLMNAALDH1A1MAPT
SCHEMBL9551853 0.83 CHRM3 (0.48) CHRM3SLC22A12HTTALDH1A1POLB
SCHEMBL6164394 0.82 MAPT (0.64) CHRM3HTTLMNAALDH1A1POLB
SCHEMBL17796962 0.82 PTGDR2 (0.49) HTTLMNAPTGDR2ALDH1A1POLB
SCHEMBL265014 0.79 ALDH1A1 (0.62) HTTALDH1A1POLBMAPTMEN1
SCHEMBL16438561 0.78 CHRM3 (0.49) CHRM3HTTLMNAALDH1A1MAPT

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-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
EP-3029026-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME Dong-A ST Co., Ltd. (KR) 2016-06-08 EP disclosed
WO-2015016511-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME 동아에스티 주식회사 (KR) 2015-02-05 WO 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 CHRM3 2/4885XDH 2052/4885SLC22A12 4104/4885
US-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 CHRM3 1/4885XDH 758/4885SLC22A12 3435/4885

“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.