SCHEMBL22693

SCHEMBL22693

N#CC=Cc1cccc(F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 10/20 0.65
ENPP2 Q13822 1/20 0.61
PTGS1 P23219 3/20 0.52
PTGS2 P35354 1/20 0.52
NQO2 P16083 1/20 0.50
USP20 Q9Y2K6 1/20 0.49
FBP1 P09467 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
THPO P40225 1/20 0.48
NPC1 O15118 1/20 0.48
CHRM5 P08912 1/20 0.48
GRM5 P41594 1/20 0.48
RAB9A P51151 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
RELA Q04206 1/20 0.47

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
SCHEMBL31350 1.00 NFE2L2 (0.65) NFE2L2ENPP2PTGS1PTGS2NQO2
SCHEMBL22692 1.00 NFE2L2 (0.65) NFE2L2ENPP2PTGS1PTGS2NQO2
SCHEMBL700537 0.80 NFE2L2 (1.00) NFE2L2PTGS1PTGS2NQO2FBP1
SCHEMBL700536 0.80 NFE2L2 (1.00) NFE2L2PTGS1PTGS2NQO2FBP1
SCHEMBL31317689 0.80 NFE2L2 (1.00) NFE2L2PTGS1PTGS2NQO2FBP1
SCHEMBL2319722 0.80 NFE2L2 (0.65) NFE2L2PTGS1PTGS2NQO2FBP1
SCHEMBL2319724 0.80 NFE2L2 (0.65) NFE2L2PTGS1PTGS2NQO2FBP1
SCHEMBL525893 0.79 NFE2L2 (0.58) NFE2L2PTGS1PTGS2NQO2USP20
SCHEMBL8084015 0.77 NFE2L2 (0.61) NFE2L2PTGS1PTGS2NQO2USP20
SCHEMBL9849735 0.76 NFE2L2 (0.91) NFE2L2PTGS1PTGS2NQO2FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119708027-A Method for preparing boronated carbonyl derivative 中国科学院大连化学物理研究所 2025-03-28 CN claimed
CN-111606824-B Beta-amino nitrile compound and preparation method thereof 东北师范大学 2023-03-14 CN claimed
CN-111606824-A Beta-amino nitrile compound and preparation method thereof 东北师范大学 2020-09-01 CN claimed
CN-116135861-A Method for preparing boronated carbonyl derivative from alpha, beta-unsaturated carbonyl derivative 中国科学院大连化学物理研究所 2023-05-19 CN disclosed
CN-111606824-B Beta-amino nitrile compound and preparation method thereof 东北师范大学 2023-03-14 CN disclosed
EP-3553097-B1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORP (JP) 2022-05-04 EP disclosed
US-11225540-B2 Copolymer and optical film using same TOSOH CORPORATION (JP) 2022-01-18 US disclosed
CN-110248971-B Copolymer and optical film using the same 东曹株式会社 2021-11-02 CN disclosed
CN-111606824-A Beta-amino nitrile compound and preparation method thereof 东北师范大学 2020-09-01 CN disclosed
US-20200095358-A1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORPORATION (JP) 2020-03-26 US disclosed
EP-3553097-A1 COPOLYMER AND OPTICAL FILM USING SAME Tosoh Corporation (JP) 2019-10-16 EP disclosed
US-20130337318-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2013-12-19 US disclosed
EP-2588480-A2 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF& xA; SANOFI (FR) 2013-05-08 EP disclosed
US-20130090340-A1 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-04-11 US disclosed
US-20120231330-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-09-13 US disclosed
WO-2011161537-A2 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-29 WO disclosed
CN-102201596-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2011-09-28 CN disclosed
US-20100035146-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-11 US disclosed
EP-2120279-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-11-18 EP disclosed
CN-101548425-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP (JP) 2009-09-30 CN 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 (1 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-20130090340-A1 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCN1, HCN2 NFE2L2 2896/4885ENPP2 849/4885PTGS1 3703/4885

“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.