SCHEMBL5113247

SCHEMBL5113247

O=C(O)Nc1ccccc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.69
TACR1 P25103 1/20 0.58
RORC P51449 1/20 0.52
RORB Q92753 1/20 0.52
CHRM3 P20309 1/20 0.51
GAA P10253 1/20 0.50
NTRK1 P04629 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
KIF11 P52732 1/20 0.49
TRPM2 O94759 1/20 0.48
RXFP1 Q9HBX9 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC3 O15379 1/20 0.48

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
SCHEMBL8981973 0.85 ALDH1A1 (0.51) ALDH1A1TACR1CHRM3GAAMEN1
SCHEMBL16438557 0.85 CHRM3 (0.54) ALDH1A1RORCRORBCHRM3NTRK1
SCHEMBL5112476 0.83 ALDH1A1 (0.58) ALDH1A1TACR1CHRM3NTRK1MEN1
SCHEMBL17797034 0.82 ALDH1A1 (0.57) ALDH1A1TACR1CHRM3NTRK1MEN1
SCHEMBL16438555 0.82 TACR1 (0.54) ALDH1A1TACR1RORCRORBNTRK1
SCHEMBL3909899 0.80 HTT (0.51) ALDH1A1CHRM3GAAMEN1MAPT
SCHEMBL6434421 0.80 KIF11 (0.56) ALDH1A1TACR1RORCRORBGAA
SCHEMBL5106022 0.79 DHODH (0.48) ALDH1A1TACR1MEN1KMT2AHDAC1
SCHEMBL17796955 0.79 CHRM3 (0.53) ALDH1A1TACR1CHRM3NTRK1GRIK1
SCHEMBL265014 0.79 ALDH1A1 (0.62) ALDH1A1MEN1MAPTHTTKMT2A

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
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
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 ALDH1A1 1199/4885TACR1 9/4885RORC 280/4885
US-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 ALDH1A1 2948/4885TACR1 43/4885RORC 2153/4885

“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.