SCHEMBL640674

SCHEMBL640674

NC(=NO)c1ccc(F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
KDM1A O60341 10/20 0.49
RECQL P46063 1/20 0.46
PLA2G7 Q13093 1/20 0.41
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.38

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
SCHEMBL640673 1.00 CES2 (0.50) CES2CES1KDM1ARECQLPLA2G7
SCHEMBL8281129 0.83 KDM1A (0.50) KDM1ARECQLRAB9ALMNAGFER
SCHEMBL20580081 0.83 KDM1A (0.68) KDM1ARECQLLMNA
SCHEMBL14738905 0.83 KDM1A (0.50) KDM1ARECQLRAB9ALMNAGFER
SCHEMBL2772394 0.83 KDM1A (0.68) KDM1ARECQLLMNA
SCHEMBL16242452 0.83 HDAC1 (0.55) KDM1ARECQLRAB9ALMNAGFER
SCHEMBL16242453 0.83 HDAC1 (0.55) KDM1ARECQLRAB9ALMNAGFER
SCHEMBL25384548 0.82 KDM1A (0.45) KDM1ARECQLLMNAGFERKMT2A
SCHEMBL22394821 0.82 KDM1A (0.45) KDM1ARECQLLMNAGFERKMT2A
SCHEMBL8221010 0.82 KDM1A (0.45) KDM1ARECQLRAB9ALMNAGFER

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
US-12275723-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2025-04-15 US disclosed
US-20240400546-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-12-05 US disclosed
US-20240300938-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-09-12 US disclosed
US-11970486-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-04-30 US disclosed
US-20240124435-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-04-18 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 US disclosed
CN-114269340-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-04-01 CN disclosed
EP-3962481-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 EP disclosed
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed
WO-2009148452-A1 NOVEL 1,2,4 OXADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-10 WO disclosed
US-20090198057-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INCORPORATED 2009-08-06 US disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 WO disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 WO disclosed
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-30 US disclosed
US-20080167286-A1 Pharmaceutical compositions and their methods of use ABBOTT LABORATORIES (US) 2008-07-10 US disclosed
US-6034106-A Oxadiazole benzenesulfonamides as selective β3 Agonist for the treatment of Diabetes and Obesity MERCK & CO., INC. (US) 2000-03-07 US disclosed
EP-0906310-A4 OXADIAZOLE BENZENESULFONAMIDES AS SELECTIVE -g(b) 3? AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO INC (US) 1999-09-01 EP disclosed
EP-0906310-A1 OXADIAZOLE BENZENESULFONAMIDES AS SELECTIVE $g(b) 3? AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY Merck & Co., Inc. (US) 1999-04-07 EP disclosed
WO-1997046556-A1 OXADIAZOLE BENZENESULFONAMIDES AS SELECTIVE β3 AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO., INC. (US) 1997-12-11 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 (10 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-20240124435-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 CES2 124/4885CES1 1485/4885KDM1A 4113/4885
US-20240300938-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 CES2 124/4885CES1 1485/4885KDM1A 4113/4885
US-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 CES2 124/4885CES1 1485/4885KDM1A 4113/4885
US-20240400546-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 CES2 124/4885CES1 1485/4885KDM1A 4113/4885
US-20090198057-A1 Certain Chemical Entities, Compositions, and Methods MYLK, MYH2, MYH10 CES2 1325/4885CES1 1407/4885KDM1A 2098/4885
US-12275723-B2 Compounds and uses thereof NLN, ACHE, CLN6 CES2 124/4885CES1 1485/4885KDM1A 4113/4885
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof OXA1L, CYP11B2, CYP1B1 CES2 248/4885CES1 571/4885KDM1A 2088/4885
US-20080167286-A1 Pharmaceutical compositions and their methods of use CHRNA4, CHRNB4, CHRNA5 CES2 959/4885CES1 2716/4885KDM1A 2455/4885
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 CES2 1241/4885CES1 1740/4885KDM1A 972/4885
US-11970486-B2 Compounds and uses thereof NLN, ACHE, CLN6 CES2 124/4885CES1 1485/4885KDM1A 4113/4885

“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.