SCHEMBL5175392

SCHEMBL5175392

CC(=O)c1nc2ccccc2o1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
XDH P47989 8/20 0.56
KDM4E B2RXH2 3/20 0.51
FAAH O00519 4/20 0.50
RAB9A P51151 3/20 0.50
CES1 P23141 2/20 0.50
GLO1 Q04760 1/20 0.50
MAPT P10636 1/20 0.50
DAGLA Q9Y4D2 1/20 0.50
TLR4 O00206 1/20 0.50
NLRP3 Q96P20 1/20 0.50
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL17951858 0.86 FAAH (0.54) ALDH1A1XDHKDM4EFAAHRAB9A
SCHEMBL23902532 0.84 XDH (0.51) ALDH1A1XDHKDM4ERAB9AMAPT
SCHEMBL5355510 0.82 FAAH (0.51) ALDH1A1XDHKDM4EFAAHRAB9A
SCHEMBL1590095 0.82 FAAH (0.55) ALDH1A1XDHKDM4EFAAHRAB9A
SCHEMBL1490560 0.81 FAAH (0.50) ALDH1A1XDHKDM4EFAAHRAB9A
SCHEMBL4464221 0.81 XDH (0.49) ALDH1A1XDHKDM4ERAB9AMAPT
SCHEMBL1535700 0.81 FAAH (0.54) ALDH1A1XDHKDM4EFAAHRAB9A
SCHEMBL11027841 0.81 XDH (0.49) ALDH1A1XDHKDM4ERAB9AMAPT
SCHEMBL3612583 0.81 FAAH (0.54) XDHKDM4EFAAHRAB9ACES1
Hydrochloric Acid SCHEMBL23320558 0.81 FAAH (0.54) XDHKDM4EFAAHRAB9ACES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP disclosed
CN-117924156-A Synthesis method of aza-aryl alcohol compound and chiral alpha-hydroxycarboxylic acid 赣南师范大学 2024-04-26 CN disclosed
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
US-20230174689-A1 POLYMER SUMITOMO CHEMICAL CO., LTD. (JP) 2023-06-08 US disclosed
US-20230174689-A1 POLYMER SUMITOMO CHEMICAL CO., LTD. (JP) 2023-06-08 US disclosed
US-20230174689-A1 POLYMER SUMITOMO CHEMICAL CO., LTD. (JP) 2023-06-08 US disclosed
EP-4116303-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER Loxo Oncology, Inc. (US) 2023-01-11 EP disclosed
US-20220343946-A1 DATA STORAGE METHOD AND COMPOSITION SUMITOMO CHEMICAL CO., LTD. (JP) 2022-10-27 US disclosed
CN-114503199-A Data storage method and composition 住友化学株式会社 2022-05-13 CN disclosed
EP-2314598-A1 Inhibitors of Hepatitis C virus NS3 serine protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-27 EP disclosed
US-20110059018-A1 COVALENTLY BINDING IMAGING PROBES SANOFI-AVENTIS (FR) 2011-03-10 US disclosed
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-30 US disclosed
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-04 US disclosed
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-04 US disclosed
WO-2008129129-A1 HETEROCYCLIC PHENYL CARBAMATES AS NOVEL FAAH-INHIBITORS KUOPION YLIOPISTO (FI) 2008-10-30 WO disclosed
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 US disclosed
EP-1529093-B1 GAS ODORISATION USING PHENOLS AND/OR PHENOL ETHERS SYMRISE GMBH & CO KG (DE) 2007-05-16 EP disclosed
US-7183293-B2 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-02-27 US disclosed
US-4822809-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1989-04-18 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 (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-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 ALDH1A1 135/4885XDH 30/4885KDM4E 4021/4885
US-20110059018-A1 COVALENTLY BINDING IMAGING PROBES CTSV, CTSL, CTSE ALDH1A1 1016/4885XDH 1307/4885KDM4E 3409/4885
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PDE4A, PDE4B, PDE4D ALDH1A1 424/4885XDH 160/4885KDM4E 200/4885
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE HPN, PRSS1, PRSS3 ALDH1A1 3201/4885XDH 1016/4885KDM4E 3387/4885

“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.