SCHEMBL642256

SCHEMBL642256

NC(=NO)c1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
KDM1A O60341 4/20 0.40
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
LMNA P02545 2/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
CTSL P07711 1/20 0.35
GAA P10253 2/20 0.34
PARP1 P09874 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL642255 1.00 CES2 (0.46) CES2CES1KDM1AGRIN2DGRIN3B
SCHEMBL8378366 0.87 CES2 (0.40) CES2CES1KDM1AGRIN2DGRIN3B
SCHEMBL21163487 0.86 ACHE (0.41) CES2CES1KDM1AGRIN2DGRIN3B
SCHEMBL7242129 0.86 PBRM1 (0.44) CES2CES1LMNAITGB2ICAM1
SCHEMBL6571700 0.82 RORB (0.36) CES2CES1KDM1AGRIN2DGRIN3B
SCHEMBL8381060 0.81 CES2 (0.35) CES2CES1KDM1AITGB2ICAM1
SCHEMBL6739140 0.78 POLB (0.41) CES2CES1KDM1ALMNAITGB2
SCHEMBL8376594 0.77 KDM1A (0.34) KDM1A
SCHEMBL4254508 0.76 KDM1A (0.36) CES2CES1KDM1AGRIN2DGRIN3B
SCHEMBL641271 0.76 CES2 (0.52) CES2CES1KDM1ALMNACTSL

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119855820-A Camptothecins compound and its preparation method and use 上海齐鲁制药研究中心有限公司 2025-04-18 CN disclosed
CN-116589398-A Fluorobenzoxime ether amide compound and application thereof 青岛科技大学 2023-08-15 CN 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
US-20210317112-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER AG (DE) 2021-10-14 US disclosed
CN-109320471-B 3- (2, 6-difluorophenyl) -1,2, 4-oxadiazole compound and application thereof 青岛科技大学 2021-09-21 CN disclosed
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
EP-2250165-A1 TRIAZOLE OXADIAZOLES DERIVATIVES Merck Serono S.A. (CH) 2010-11-17 EP disclosed
EP-2227466-A2 HETEROARYL-SUBSTITUTED PIPERIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-15 EP disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20210317112-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS CES2 475/4885CES1 854/4885KDM1A 1694/4885
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES OXA1L, RO60, PDCD11 CES2 4359/4885CES1 3301/4885KDM1A 688/4885
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 CES2 496/4885CES1 176/4885KDM1A 3906/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 CES2 496/4885CES1 176/4885KDM1A 3906/4885
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 CES2 1241/4885CES1 1740/4885KDM1A 972/4885

“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.