Sugi Predict

Sugi Predict / Compounds / SCHEMBL706361

SCHEMBL706361

SCHEMBL706361

O=CC=Cc1cc(F)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 7/20 0.57
▸ CES2 O00748 2/20 0.42
▸ CES1 P23141 2/20 0.42
▸ CDK4 P11802 2/20 0.39
▸ CCND1 P24385 2/20 0.39
▸ ERN1 O75460 1/20 0.39
▸ CA3 P07451 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ CA5B Q9Y2D0 1/20 0.37
▸ CCNB2 O95067 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ CCNB3 Q8WWL7 1/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALOX5 P09917 1/20 0.35

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
SCHEMBL31182057 1.00 NFE2L2 (0.57) NFE2L2CES2CES1CDK4CCND1
SCHEMBL706360 1.00 NFE2L2 (0.57) NFE2L2CES2CES1CDK4CCND1
SCHEMBL3720644 0.83 NFE2L2 (0.57) NFE2L2CDK4CCND1
SCHEMBL4291385 0.83 NFE2L2 (0.57) NFE2L2CDK4CCND1
SCHEMBL2343340 0.83 NFE2L2 (0.57) NFE2L2CDK4CCND1
SCHEMBL22039183 0.82 ERN1 (0.42) NFE2L2CDK4CCND1ERN1CCNB2
SCHEMBL21676110 0.80 SMN1; SMN2 (0.42) NFE2L2CDK4CCND1ERN1CA9
SCHEMBL21676108 0.80 AMY1A (0.37) NFE2L2CDK4CCND1CCNB2CDK1
SCHEMBL20074265 0.80 CDK4 (0.37) NFE2L2CDK4CCND1CCNB2CDK1
SCHEMBL18255048 0.80 NFE2L2 (0.40) NFE2L2CDK4CCND1ERN1CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118879789-A Method for preparing 2, 5-difluoro cinnamaldehyde by using benzaldehyde lyase 浙江工业大学 2024-11-01 — — CN claimed
CN-118879789-A Method for preparing 2, 5-difluoro cinnamaldehyde by using benzaldehyde lyase 浙江工业大学 2024-11-01 — — CN disclosed
CN-118879789-A Method for preparing 2, 5-difluoro cinnamaldehyde by using benzaldehyde lyase 浙江工业大学 2024-11-01 — — CN disclosed
CN-118879789-A Method for preparing 2, 5-difluoro cinnamaldehyde by using benzaldehyde lyase 浙江工业大学 2024-11-01 — — CN disclosed
CN-113767092-B Di-heterocyclic carbonyl substituted dihydropyrazoles, their preparation and their use in medicine 劲方医药科技(上海)有限公司 2024-07-16 — — CN disclosed
CN-113767092-A Bis-heterocyclic carbonyl substituted dihydropyrazole compound, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2021-12-07 — — CN disclosed
WO-2020224656-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 劲方医药科技(上海)有限公司 2020-11-12 — — WO disclosed
EP-2094267-B1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-04-22 — — EP disclosed
US-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORPORATION (US) 2014-08-28 — — US disclosed
EP-2723737-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS Kyorin Pharmaceutical Co., Ltd. (JP) 2014-04-30 — — EP disclosed
EP-1799674-A1 NEW PIPERIDINE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 — — EP disclosed
EP-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 — — EP disclosed
US-7232833-B2 4-substituted quinoline derivatives, method and intermediates for their preparation and pharmaceutical compositions containing them NOVEXEL (FR) 2007-06-19 — — US disclosed
WO-2007042325-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2007-04-19 — — WO disclosed
EP-1763527-A1 4-SUBSTITUTED QUINOLINE DERIVATIVES, METHOD AND INTERMEDIATES FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME NOVEXEL (FR) 2007-03-21 — — EP disclosed
WO-2006125974-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2006-11-30 — — WO disclosed
WO-2006038172-A1 NEW PIPERIDINE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-04-13 — — WO disclosed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 — — WO disclosed
WO-2006010831-A1 4-SUBSTITUTED QUINOLINE DERIVATIVES, METHOD AND INTERMEDIATES FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME NOVEXEL (FR) 2006-02-02 — — WO disclosed
US-20040224946-A1 4-substituted quinoline derivatives, method and intermediates for their preparation and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2004-11-11 — — 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 (2 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-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS PAICS, SBDS, SORD NFE2L2 2031/4885CES2 410/4885CES1 900/4885
US-20040224946-A1 4-substituted quinoline derivatives, method and intermediates for their preparation and pharmaceutical compositions containing them HRH2, HRH1, HRH3 NFE2L2 788/4885CES2 260/4885CES1 1189/4885

“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.