SCHEMBL378719

SCHEMBL378719

Cc1cc(Br)cc(CO)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.40
ACHE P22303 1/20 0.39
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
IDO1 P14902 1/20 0.32
TPMT P51580 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAOB P27338 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CASP6 P55212 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
C1S P09871 1/20 0.30
PRSS3 P35030 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
SCHEMBL16962202 0.82 TACR1 (0.38) TACR1ALDH1A1MAPK1PGK1PGK2
SCHEMBL501769 0.82 PGK1 (0.48) ACHEALDH1A1PGK1PGK2TPMT
SCHEMBL92965 0.82 ACHE (0.48) ACHEALDH1A1PGK1PGK2TPMT
SCHEMBL41893 0.82 ACHE (0.48) ACHEIDO1ALOX15TSHRHSD17B10
SCHEMBL112048 0.82 ACHE (0.48) ACHEIDO1ALOX15TSHRHSD17B10
SCHEMBL8148390 0.81 TACR1 (0.40) TACR1ALDH1A1MAPK1PGK1PGK2
SCHEMBL16959217 0.79 TNKS2 (0.41) TACR1ALDH1A1MAPK1PGK1PGK2
SCHEMBL30349373 0.78 TACR1 (0.41) TACR1ALDH1A1MAPK1PGK1PGK2
SCHEMBL305652 0.78 TACR1 (0.41) TACR1ALDH1A1MAPK1PGK1PGK2
SCHEMBL12514812 0.78 TACR1 (0.41) TACR1ALDH1A1MAPK1PGK1PGK2

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 EP disclosed
EP-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 EP disclosed
CN-116783160-A Libraries of compounds 中外制药株式会社 2023-09-19 CN disclosed
US-20230097678-A1 NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2023-03-30 US disclosed
EP-4110776-A1 NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2023-01-04 EP disclosed
CN-115151538-A Macrocyclic compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-10-04 CN disclosed
WO-2022203399-A1 ADENOSINE A2A RECEPTOR ANTAGONIST AND USE THEREOF 주식회사 스탠다임 2022-09-29 WO disclosed
CN-110963886-B Method for preparing aromatic alcohol by photocatalytic aromatic aldehyde conversion 苏州大学 2022-03-15 CN disclosed
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 US disclosed
CN-110963886-A Method for preparing aromatic alcohol by photocatalytic aromatic aldehyde conversion 苏州大学 2020-04-07 CN disclosed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009100170-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100170-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US disclosed
WO-2008107478-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-09-12 WO 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 (4 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-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE4B, PDE1A TACR1 540/4885ACHE 257/4885ALDH1A1 888/4885
US-20230097678-A1 NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM C1S, C1R, F12 TACR1 938/4885ACHE 1495/4885ALDH1A1 2272/4885
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 TACR1 140/4885ACHE 86/4885ALDH1A1 1389/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 TACR1 107/4885ACHE 1670/4885ALDH1A1 576/4885

“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.