SCHEMBL1816980

SCHEMBL1816980

O=C1Cc2ccccc2NC1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.63
PDK2 Q15119 1/20 0.63
NPC1 O15118 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
HSP90AA1 P07900 1/20 0.52
THRB P10828 1/20 0.52
HK1 P19367 1/20 0.52
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.52
RAB9A P51151 1/20 0.52
GALK1 P51570 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
HKDC1 Q2TB90 1/20 0.52
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50

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
SCHEMBL6249305 0.81 AHR (0.61) AHRPDK2NPC1MAPTKDM4E
SCHEMBL9056394 0.81 NPC1 (0.64) AHRPDK2NPC1MAPTKDM4E
SCHEMBL4156077 0.79 AHR (0.59) AHRPDK2NPC1MAPTKDM4E
SCHEMBL4356821 0.79 AHR (0.59) AHRPDK2NPC1MAPTKDM4E
SCHEMBL2087698 0.79 TDP2 (0.66) AHRPDK2NPC1MAPTKDM4E
Oxindole SCHEMBL1144643 0.77 AHR (1.00) AHRPDK2NPC1MAPTKDM4E
Oxindole SCHEMBL19504 0.77 AHR (1.00) AHRPDK2NPC1MAPTKDM4E
Oxindole SCHEMBL29358826 0.77 AHR (1.00) AHRPDK2NPC1MAPTKDM4E
Oxindole SCHEMBL28363862 0.77 AHR (0.88) AHRPDK2NPC1MAPTKDM4E
SCHEMBL14084317 0.76 TDP2 (0.61) AHRPDK2MAPTKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613599-B1 A PROCESS FOR THE PREPARATION OF 5-(HALOACETYL)-8-(SUBSTITUTED OXY)-(1H)-QUINOLIN-2-ONES NOVARTIS AG (CH) 2010-12-15 EP claimed
JP-2268118-A None JP disclosed
JP-4059729-A None JP disclosed
US-20240018103-A1 3-HYDROXYOXINDOLE DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2024-01-18 US disclosed
EP-3186240-B1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2019-06-12 EP disclosed
US-9999616-B2 2018-06-19 US disclosed
CN-104130247-B Human T 2 R bitterness receptors and application thereof 塞诺米克斯公司 2018-06-01 CN disclosed
US-20180086752-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-03-29 US disclosed
US-20180040832-A1 ELECTRONIC DEVICE CONTAINING CYCLIC LACTAMS MERCK PATENT GMBH (DE) 2018-02-08 US disclosed
US-9822113-B2 Tricyclic compounds and process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-11-21 US disclosed
US-5767130-A Use of kainic acid antagonists to prevent toxic side effects of NMDA antagonists OLNEY JOHN W (US) 1998-06-16 US disclosed
WO-1998005337-A1 USE OF GABA AND NMDA RECEPTOR LIGANDS FOR THE TREATMENT OF MIGRAINE HEADACHE COCENSYS, INC. (US) 1998-02-12 WO disclosed
US-5677305-A NERVOUS SYSTEM DISORDERS SHIONOGI & CO., LTD. (JP) 1997-10-14 US disclosed
WO-1996040141-A1 4,5-BRIDGED QUINOXALINEDIONES AND QUINOLONES AND THE USE THEREOF AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ACEA PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
EP-0676397-A1 Oxopyridinylquinoxaline derivatives SHIONOGI & CO., LTD. (JP) 1995-10-11 EP disclosed
EP-0459561-B1 Dioxo-tetrahydroquinoline derivatives MERCK SHARP & DOHME (GB) 1995-09-20 EP disclosed
US-5268378-A Oxo group in 2 and 4 position MERCK SHARP & DOHME, LIMITED (GB) 1993-12-07 US disclosed
JP-H0459729-A LIVER DISORDER SUPPRESSANT MITSUBISHI GAS CHEM CO INC 1992-02-26 JP disclosed
EP-0459561-A2 Dioxo-tetrahydroquinoline derivatives MERCK SHARP & DOHME LTD. (GB) 1991-12-04 EP disclosed
JP-H02268118-A IMMNUNOACTIVATOR MITSUBISHI GAS CHEM CO INC 1990-11-01 JP 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 (3 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-20180040832-A1 ELECTRONIC DEVICE CONTAINING CYCLIC LACTAMS OXA1L, UROD, MRPL21 AHR 4742/4885PDK2 2505/4885NPC1 4654/4885
US-20240018103-A1 3-HYDROXYOXINDOLE DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH AHR 556/4885PDK2 1129/4885NPC1 2853/4885
US-20180086752-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS KRAS, NRAS, HRAS AHR 3008/4885PDK2 3946/4885NPC1 2166/4885

“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.