SCHEMBL6294231

SCHEMBL6294231

C=C(NC(C)=O)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
NLRP1 Q9C000 1/20 0.46
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL19435693 0.83 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7733506 0.82 ALDH1A1 (0.48) CES2CES1MAPTMEN1KMT2A
SCHEMBL19724896 0.82 CA1 (0.47) MAPTMEN1KMT2ANPC1HTT
SCHEMBL27568390 0.80 CES2 (0.46) CES2CES1MEN1KMT2ASMN1; SMN2
SCHEMBL14537184 0.80 ALDH1A1 (0.53) EPHX1CES2CES1MAPTMEN1
SCHEMBL19435712 0.80 TPMT (0.45) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL19435750 0.79 CA1 (0.48) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL979427 0.79 CES1 (0.46) EPHX1CES2CES1MAPTMEN1
SCHEMBL13273458 0.79 ALDH1A1 (0.57) EPHX1CES2CES1MAPTMEN1
SCHEMBL19435797 0.78 SMN1; SMN2 (0.55) MAPTMEN1KMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111747904-A Polyfluoroalkenyl substituted oxazole compound and preparation method thereof 南京工业大学 2020-10-09 CN claimed
CN-115043752-A Beta, beta-dibromo enamide and preparation method thereof 天津中医药大学 2022-09-13 CN disclosed
CN-113480533-B Preparation method of 3, 4-pyridine diimides derivatives 赣南师范大学 2022-08-02 CN disclosed
CN-111620832-B Multi-substituted oxazoline compound and preparation method thereof 南京工业大学 2022-07-05 CN disclosed
CN-113480533-A Preparation method of 3, 4-pyridine diimides derivatives 赣南师范大学 2021-10-08 CN disclosed
CN-111747904-A Polyfluoroalkenyl substituted oxazole compound and preparation method thereof 南京工业大学 2020-10-09 CN disclosed
CN-111620832-A Multi-substituted oxazoline compound and preparation method thereof 南京工业大学 2020-09-04 CN disclosed
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-10-12 US disclosed
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-10-12 US disclosed
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-10-12 US disclosed
EP-1558384-B1 MIXTURES OF CHIRAL MONOPHOSPHORUS COMPOUNDS USED AS LIGAND SYSTEMS FOR ASYMMETRIC TRANSITION METAL CATALYSIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-03-25 EP disclosed
US-7704912-B2 Mixtures of chiral monophosphorus compounds used as ligand systems for asymmetric transition metal catalysis STUDIENGESELLSCHAFT KOHLE MBH (DE) 2010-04-27 US disclosed
US-7704912-B2 Mixtures of chiral monophosphorus compounds used as ligand systems for asymmetric transition metal catalysis STUDIENGESELLSCHAFT KOHLE MBH (DE) 2010-04-27 US disclosed
CN-100482671-C Chiral monophosphorous ligand, synthetic method and its use SHANGHAI INST ORGANIC CHEM (CN) 2009-04-29 CN disclosed
US-6930189-B2 Chiral ligand SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-08-16 US disclosed
CN-1616470-A Chiral monophosphorous ligand, synthetic method and its use SHANGHAI INST ORGANIC CHEM (CN) 2005-05-18 CN disclosed
US-6762306-B2 A N,O-BIS(DIPHENYLPHOSPHINO)-2-AZETIDINE DERIVATIVES, A TRANSITION METAL COMPLEX FOR USE AS HYDROGENATION CATALYSTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-13 US disclosed
US-20040110965-A1 Chiral ligand SUMITOMO CHEMICAL COMPANY, LIMITED 2004-06-10 US disclosed
US-20030191324-A1 Chiral ligand SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-10-09 US disclosed
EP-1241174-A1 Chiral ligands for asymmetric synthesis SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-09-18 EP 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-20040110965-A1 Chiral ligand PHOSPHO1, GRIA1, PRMT1 EPHX1 2229/4885CES2 2908/4885CES1 2316/4885
US-20030191324-A1 Chiral ligand PHOSPHO1, GRIA1, FEM1B EPHX1 2300/4885CES2 2878/4885CES1 2408/4885
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN ENY2, ENO1, IDH1 EPHX1 1059/4885CES2 1154/4885CES1 4116/4885

“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.