SCHEMBL4869301

SCHEMBL4869301

O=C(C[N+](=O)[O-])c1cccc(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA6 P23280 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.49
PARP1 P09874 1/20 0.48
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
EGLN2 Q96KS0 1/20 0.46
CTNNB1 P35222 1/20 0.44
FASN P49327 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42

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
SCHEMBL9035708 0.82 CES2 (0.55) KDM4EPARP1TSHRCTNNB1FBP1
SCHEMBL11756446 0.82 TP53 (0.56) CA12CA1CA2CA6CA9
SCHEMBL1277041 0.81 PARP1 (0.50) KDM4EPARP1TSHRCTNNB1
SCHEMBL5619554 0.81 PARP1 (0.50) ALDH1A1PARP1
SCHEMBL339923 0.81 ERCC5 (0.58) ALDH1A1PARP1
SCHEMBL8980284 0.81 PBRM1 (0.49) CA12CA1CA2CA9ALDH1A1
SCHEMBL28415551 0.81 CES2 (0.66) ALDH1A1KDM4ETSHRCES2CES1
SCHEMBL8779987 0.79 ERCC5 (0.61) ALDH1A1KMO
SCHEMBL280150 0.79 MAPT (0.54) ALDH1A1KDM4EALOX15TSHRCES2
SCHEMBL3863357 0.78 LOXL2 (0.51) ALDH1A1TSHRKMO

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6157579-A None JP disclosed
CN-116987061-A 4-methyl quinazoline derivative, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2023-11-03 CN disclosed
CN-113853662-A Solid electrolytic capacitor 阿维科斯公司 2021-12-28 CN disclosed
US-10617759-B2 Light-stimulated release of cargo from oligonucleotides TRUSTEES OF BOSTON UNIVERSITY (US) 2020-04-14 US disclosed
US-20190008963-A1 LIGHT-STIMULATED RELEASE OF CARGO FROM OLIGONUCLEOTIDES TRUSTEES OF BOSTON UNIVERSITY (US) 2019-01-10 US disclosed
US-7364881-B1 Biological process for the conversion of nitroarenes to ortho-aminophenols using recombinant E. coli strains UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2008-04-29 US disclosed
EP-0369627-B1 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS (JP) 1994-12-21 EP disclosed
JP-H06157579-A NEW GLYCOSIDE AND UV ABSORBING AND SCATTERING AGENT CONTAINING THE SAME SATO TAKESHI 1994-06-03 JP disclosed
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 US disclosed
EP-0369627-A2 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 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 (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-10617759-B2 Light-stimulated release of cargo from oligonucleotides DCLRE1B, CLTA, EEA1 CA12 4082/4885CA1 4450/4885CA2 4358/4885
US-20190008963-A1 LIGHT-STIMULATED RELEASE OF CARGO FROM OLIGONUCLEOTIDES DCLRE1B, CLTA, EEA1 CA12 4082/4885CA1 4450/4885CA2 4358/4885

“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.