SCHEMBL5100217

SCHEMBL5100217

Cc1ccc(NC(=O)O)c(-c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 1/20 0.57
CHRM3 P20309 4/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CXCR2 P25025 1/20 0.47
GAA P10253 2/20 0.46

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
SCHEMBL29849180 0.91 HDAC7 (0.55) HDAC7CHRM3PTGDR2L3MBTL1MEN1
SCHEMBL18415471 0.91 HDAC7 (0.55) HDAC7CHRM3PTGDR2L3MBTL1MEN1
SCHEMBL11187279 0.90 HDAC7 (0.54) HDAC7CHRM3PTGDR2L3MBTL1MEN1
SCHEMBL28806047 0.90 HDAC7 (0.54) HDAC7CHRM3PTGDR2L3MBTL1MEN1
SCHEMBL3906980 0.86 HDAC7 (0.53) HDAC7PTGDR2L3MBTL1MEN1KMT2A
SCHEMBL25350383 0.85 HDAC7 (0.50) HDAC7CHRM3PTGDR2L3MBTL1MEN1
SCHEMBL28468828 0.84 HDAC7 (0.49) HDAC7CHRM3PTGDR2L3MBTL1MEN1
SCHEMBL16438547 0.84 CHRM3 (0.56) CHRM3SMN1; SMN2MAPT
SCHEMBL3970097 0.84 MEN1 (0.50) CHRM3L3MBTL1MEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL5099217 0.82 AKR1C3 (0.41) HDAC7CHRM3L3MBTL1MEN1KMT2A

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 11 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
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 HDAC7 2201/4885CHRM3 2/4885PTGDR2 1032/4885
US-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 HDAC7 2218/4885CHRM3 1/4885PTGDR2 203/4885

“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.