SCHEMBL1395809

SCHEMBL1395809

NC(=O)Cc1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.50
CA12 O43570 7/20 0.49
CA1 P00915 7/20 0.49
CA2 P00918 7/20 0.49
CA9 Q16790 7/20 0.49
PARP10 Q53GL7 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
IDO1 P14902 2/20 0.47
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RIPK1 Q13546 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
GLS O94925 1/20 0.41

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
SCHEMBL10339218 0.84 AKR1B1 (0.46) CA2ALDH1A1
SCHEMBL310967 0.83 CA12 (0.45) MAPK8CA12CA1CA2CA9
SCHEMBL31291159 0.83 CA12 (0.45) MAPK8CA12CA1CA2CA9
SCHEMBL1449282 0.82 CA12 (0.47) MAPK8CA12CA1CA2CA9
SCHEMBL1778391 0.82 CA12 (0.47) MAPK8CA12CA1CA2CA9
SCHEMBL30041815 0.82 CA2 (0.45) MAPK8CA12CA1CA2CA9
Benzene SCHEMBL15265833 0.81 AKR1B1 (0.50) CA2
SCHEMBL17802717 0.80 GAA (0.38) MAPK8CA12CA1CA2CA9
SCHEMBL13750888 0.80 GAA (0.38) MAPK8CA12CA1CA2CA9
SCHEMBL6963978 0.80 CA12 (0.46) MAPK8CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104817484-B 2-indolone derivatives and preparation method thereof 安徽师范大学 2017-04-19 CN claimed
CN-104817485-B Isoindigo derivative and preparation method thereof 安徽师范大学 2017-04-19 CN claimed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US claimed
EP-2185560-A1 HETEROARYL AMIDE ANALOGUES H. Lundbeck A/S (DK) 2010-05-19 EP claimed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 WO claimed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 WO claimed
CN-101307143-A Organic-inorganic composite lamellar compound with regular arrangement bromium and method for preparing same UNIV SHANGHAI (CN) 2008-11-19 CN claimed
US-3943152-A Method for preparing azines PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-03-09 US claimed
EP-4618974-A1 OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2025-09-24 EP disclosed
CN-113462278-B Varnish composition, method for producing polyimide resin, and additive 东京应化工业株式会社 2024-06-07 CN disclosed
WO-2024107615-A1 OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-05-23 WO disclosed
WO-2024107615-A1 OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-05-23 WO disclosed
CN-117003744-A Five-membered and six-membered compound, intermediate, preparation method, composition and application 厦门市博瑞来医药科技有限公司 2023-11-07 CN disclosed
CN-113462278-A Varnish composition, method for producing polyimide resin, and additive 东京应化工业株式会社 2021-10-01 CN disclosed
WO-1998024756-A1 PHENYL ACETAMIDES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1998-06-11 WO disclosed
US-5039673-A Anticoagulants, bronchodilators, vasodilators GLAXO GROUP LIMITED (GB) 1991-08-13 US disclosed
EP-0296802-A1 Aminocyclopentyl ethers and their preparation and pharmaceutical formulation GLAXO GROUP LIMITED (GB) 1988-12-28 EP disclosed
EP-0257768-A1 2-Isopropyl-2-phenyl-5-(N-methyl-2-phenylethylamino)-valeronitrile derivatives and processes for their preparation SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1988-03-02 EP disclosed
EP-0011858-A1 Radioiodine containing amines, their preparation and their use as brain imaging agents F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-06-11 EP disclosed
US-3943152-A Method for preparing azines PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-03-09 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 (1 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-20120190680-A1 Heteroaryl Amide Analogues P2RX3, P2RX2, ADORA2A MAPK8 1789/4885CA12 4836/4885CA1 4547/4885

“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.