SCHEMBL420971

SCHEMBL420971

CN(C)/C=C/c1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
SOS1 Q07889 1/20 0.53
MAOB P27338 1/20 0.51
CYP19A1 P11511 2/20 0.51
STAT3 P40763 1/20 0.51
ALDH1A1 P00352 5/20 0.50
RAB9A P51151 4/20 0.50
ATM Q13315 2/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AR P10275 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
SCHEMBL8530147 1.00 MAPT (0.56) MAPTSOS1MAOBCYP19A1STAT3
SCHEMBL7298528 0.85 TSHR (0.50) MAPTSOS1MAOBCYP19A1STAT3
SCHEMBL11006035 0.85 TSHR (0.50) MAPTSOS1MAOBCYP19A1STAT3
SCHEMBL24464120 0.83 ALDH1A1 (0.52) MAPTSOS1MAOBCYP19A1STAT3
SCHEMBL9978289 0.82 MAPT (0.69) MAPTSOS1MAOBCYP19A1ALDH1A1
SCHEMBL11049170 0.82 MAPT (0.69) MAPTSOS1MAOBCYP19A1ALDH1A1
SCHEMBL14935499 0.82 MAPT (0.69) MAPTSOS1MAOBCYP19A1ALDH1A1
SCHEMBL8534442 0.81 ALDH1A1 (0.54) MAPTSOS1MAOBCYP19A1STAT3
SCHEMBL8534445 0.81 ALDH1A1 (0.54) MAPTSOS1MAOBCYP19A1STAT3
SCHEMBL11296000 0.81 MAPT (0.67) MAPTSOS1MAOBCYP19A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4394514-A Processes for preparing 4-substituted indoles SMITHKLINE BECKMAN CORPORATION (US) 1983-07-19 US claimed
JP-60025957-A None JP disclosed
EP-4006014-B1 PYRIMIDINE COMPOUND ACTING ON EGFR AND ERBB2 CHINA RESOURCES PHARMACEUTICAL HOLDINGS COMPANY LTD (CN) 2023-10-11 EP disclosed
US-11779568-B2 Autotaxin inhibitor compounds SABRE THERAPEUTICS LLC (US) 2023-10-10 US disclosed
EP-4006014-A1 PYRIMIDINE COMPOUND ACTING ON EGFR AND ERBB2 Medshine Discovery Inc. (CN) 2022-06-01 EP disclosed
WO-2021018017-A1 PYRIMIDINE COMPOUND ACTING ON EGFR AND ERBB2 南京明德新药研发有限公司 2021-02-04 WO disclosed
US-9999615-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2018-06-19 US disclosed
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
US-9714240-B2 Vinyl autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-07-25 US disclosed
US-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-4469889-A 2-(2-Nitrophenyl)-1-phenylethanone oxime acetates HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) 1984-09-04 US disclosed
US-4459231-A Process for preparing 4-phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) 1984-07-10 US disclosed
US-4459230-A Process for preparing 4-phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) 1984-07-10 US disclosed
US-4454337-A Semicarbazide intermediates for preparing 4-substituted indoles SMITHKLINE BECKMAN CORPORATION (US) 1984-06-12 US disclosed
US-4409145-A OXIMINATION, ESTERIFICATION, REDUCTION HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1983-10-11 US disclosed
US-4394514-A Processes for preparing 4-substituted indoles SMITHKLINE BECKMAN CORPORATION (US) 1983-07-19 US disclosed
US-4394514-A Processes for preparing 4-substituted indoles SMITHKLINE BECKMAN CORPORATION (US) 1983-07-19 US disclosed
US-3979410-A Intermediate α-acyl-β-dialkylamino-2-nitrostyrenes HOFFMANN-LA ROCHE INC. (US) 1976-09-07 US disclosed
US-3976639-A Intermediates for indoles HOFFMANN-LA ROCHE INC. (US) 1976-08-24 US disclosed
US-3931225-A Process for preparing o-nitrobenzylketones HOFFMANN-LA ROCHE INC. (US) 1976-01-06 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 (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-11779568-B2 Autotaxin inhibitor compounds ENPP2, SERPINB1, SERPINE1 MAPT 293/4885SOS1 3233/4885MAOB 834/4885

“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.