SCHEMBL2324043

SCHEMBL2324043

NC(=NO)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.54
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
PLAU P00749 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
PAX8 Q06710 1/20 0.49
KDM1A O60341 3/20 0.46
SRD5A2 P31213 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
GSK3B P49841 2/20 0.42
PTPN1 P18031 1/20 0.42
GAA P10253 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
PRSS1 P07477 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
SCHEMBL2314419 1.00 GRIN2B (0.54) GRIN2BCES2CES1HTR3EHTR3B
SCHEMBL14726663 1.00 GRIN2B (0.54) GRIN2BCES2CES1HTR3EHTR3B
SCHEMBL3046778 0.89 LMNA (0.55) GRIN2BCES2CES1HTR3EHTR3B
SCHEMBL3046775 0.89 LMNA (0.55) GRIN2BCES2CES1HTR3EHTR3B
SCHEMBL2323978 0.83 GAA (0.43) GRIN2BPAX8KDM1ARAB9ANPC1
SCHEMBL15473285 0.83 ESR1 (0.48) GRIN2BHTR3EHTR3BPLAUHTR3A
SCHEMBL2323974 0.83 GAA (0.43) GRIN2BPAX8KDM1ARAB9ANPC1
SCHEMBL21215222 0.81 KDM1A (0.60) KDM1ARAB9ANPC1GAA
SCHEMBL2327864 0.80 PDE2A (0.46) GRIN2BKDM1ARAB9ANPC1GAA
SCHEMBL2327867 0.80 PDE2A (0.46) GRIN2BKDM1ARAB9ANPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001870-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2026-01-01 US disclosed
EP-4363415-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS TECNIMEDE SOCIEDADE TECNICO MEDICINAL SA (PT) 2025-12-10 EP disclosed
EP-4634169-A1 3-FLUORO-4-HYDROXYBENZMIDE-CONTAINING INHIBITORS AND/OR DEGRADERS AND USES THEREOF Pfizer Inc. (US) 2025-10-22 EP disclosed
US-12448371-B2 Inhibitor compounds Cincera Therapeutics Pty Ltd (AU) 2025-10-21 US disclosed
EP-4598908-A1 HSD17B13 INHIBITORS AND/OR DEGRADERS Pfizer Inc. (US) 2025-08-13 EP disclosed
EP-4228630-B1 NLRP3 ACTIVATORS FOR USE IN THE TREATMENT OF INFECTIOUS DISEASES OR CANCER BY ACTIVATING NLRP3 INFLAMMASOME UNIV FREIBURG ALBERT LUDWIGS (DE) 2025-03-05 EP disclosed
CN-119390664-A Crystal form of compound containing alpha, beta unsaturated ketone and preparation method thereof 山东大学 2025-02-07 CN disclosed
US-20240279217-A1 Heterocyclic compounds for the treatment of tuberculosis TECNIMEDE - Sociedade Técnico-medicinal, SA (PT) 2024-08-22 US disclosed
US-20240277658-A1 NLRP3 ACTIVATORS FOR USE IN THE TREATMENT OF INFECTIOUS DISEASES OR CANCER BY ACTIVATING NLRP3 INFLAMMASOME ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2024-08-22 US disclosed
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 CN disclosed
EP-1963289-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2008-09-03 EP disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO disclosed
WO-2007079931-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2007-07-19 WO disclosed
US-7041685-B2 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-05-09 US disclosed
US-20050154012-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2005-07-14 US disclosed
CN-1638776-A Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs CYTOVIA INC (US) 2005-07-13 CN disclosed
EP-1406632-A2 SUBSTITUTED 3-ARYL-5-ARYL- 1,2,4]-OXADIAZOLES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-04-14 EP disclosed
US-20030069276-A1 Amino piperidine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-04-10 US disclosed
US-20030045546-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-03-06 US disclosed
WO-2002100826-A2 SUBSTITUTED 3-ARYL-5-ARYL-[1,2,4]-OXADIAZOLES AND ANALOGS CYTOVIA, INC. (US) 2002-12-19 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 (7 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-20240279217-A1 Heterocyclic compounds for the treatment of tuberculosis SDHA, NQO1, FNTB GRIN2B 4775/4885CES2 1983/4885CES1 1255/4885
US-20030069276-A1 Amino piperidine derivatives CCR5, CCR2, CXCR4 GRIN2B 854/4885CES2 1673/4885CES1 3586/4885
US-20260001870-A1 INHIBITOR COMPOUNDS CES1, NCEH1, NR1H2 GRIN2B 2778/4885CES2 256/4885CES1 1/4885
US-20030045546-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP1, API5 GRIN2B 4583/4885CES2 3539/4885CES1 1908/4885
US-12448371-B2 Inhibitor compounds SERPINB1, MMP1, SSB GRIN2B 4664/4885CES2 1184/4885CES1 79/4885
US-20240277658-A1 NLRP3 ACTIVATORS FOR USE IN THE TREATMENT OF INFECTIOUS DISEASES OR CANCER BY ACTIVATING NLRP3 INFLAMMASOME NLRP3, PYCARD, NLRP1 GRIN2B 3214/4885CES2 3919/4885CES1 2270/4885
US-20050154012-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP1, CASP4 GRIN2B 4563/4885CES2 3820/4885CES1 2310/4885

“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.