SCHEMBL100242

SCHEMBL100242

N#CC=Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.65
FBP1 P09467 2/20 0.63
VCP P55072 1/20 0.63
CYP19A1 P11511 1/20 0.63
MAPT P10636 5/20 0.54
ALDH1A1 P00352 2/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
MAOB P27338 2/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HSP90AA1 P07900 2/20 0.51
MITF O75030 1/20 0.51
HTT P42858 1/20 0.51
ATM Q13315 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL100241 1.00 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL2062219 1.00 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL29453878 1.00 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
Benzene SCHEMBL28683414 0.98 NFE2L2 (0.68) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL1819754 0.85 NFE2L2 (0.67) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL5804307 0.85 NFE2L2 (0.67) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL15498134 0.84 NFE2L2 (0.89) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL11301074 0.80 CYP19A1 (0.93) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL11301072 0.80 CYP19A1 (0.93) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL3130064 0.79 APP (0.60) FBP1CYP19A1MAPTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114039042-B Silicon oxide negative electrode material with artificial SEI film, and preparation method and application thereof 惠州亿纬锂能股份有限公司 2023-07-28 CN claimed
CN-114039042-A Silicon monoxide negative electrode material with artificial SEI film and preparation method and application thereof 惠州亿纬锂能股份有限公司 2022-02-11 CN claimed
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
CN-114039042-B Silicon oxide negative electrode material with artificial SEI film, and preparation method and application thereof 惠州亿纬锂能股份有限公司 2023-07-28 CN disclosed
CN-114039042-B Silicon oxide negative electrode material with artificial SEI film, and preparation method and application thereof 惠州亿纬锂能股份有限公司 2023-07-28 CN disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 US disclosed
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-05-17 US disclosed
CN-114039042-A Silicon monoxide negative electrode material with artificial SEI film and preparation method and application thereof 惠州亿纬锂能股份有限公司 2022-02-11 CN disclosed
CN-114039042-A Silicon monoxide negative electrode material with artificial SEI film and preparation method and application thereof 惠州亿纬锂能股份有限公司 2022-02-11 CN disclosed
EP-3838903-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2021-06-23 EP disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
US-20020025965-A1 Antiserotonine agents ADIR ET COMPAGNIE (FR) 2002-02-28 US disclosed
EP-1170288-A2 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists LES LABORATOIRES SERVIER (FR) 2002-01-09 EP disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
US-4137412-A REACTING HALOGENO-AZAALKENE WITH ALPHA, BETA-UNSATURATED NITRILE BAYER AKTIENGESELLSCHAFT (DE) 1979-01-30 US disclosed
US-4051177-A PROCESS FOR THE PREPARATION OF UNSATURATED AMINO COMPOUNDS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-4010151-A Water insoluble mono azo and disazo dyes containing cinnamonitrile group PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-03-01 US disclosed
US-4008213-A WATER INSOLUBLE UGINE KUHLMANN (FR) 1977-02-15 US disclosed
US-4002673-A GROUP VIII METAL SULFIDE AS HYDROGENATION CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1977-01-11 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 (4 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-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 NFE2L2 2032/4885FBP1 2517/4885VCP 4376/4885
US-20020025965-A1 Antiserotonine agents HTR2C, HTR3C, HTR3A NFE2L2 1426/4885FBP1 4712/4885VCP 4743/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 NFE2L2 2032/4885FBP1 2517/4885VCP 4376/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 NFE2L2 2032/4885FBP1 2517/4885VCP 4376/4885

“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.