SCHEMBL4875245

SCHEMBL4875245

CC(C)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.62
CES1 P23141 2/20 0.61
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALDH1A1 P00352 2/20 0.57
TSHR P16473 1/20 0.57
CES2 O00748 1/20 0.53
SRD5A2 P31213 1/20 0.53
LMNA P02545 2/20 0.52
GSK3B P49841 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
KMT2A Q03164 2/20 0.49

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
SCHEMBL3124518 0.86 MAPK1 (0.60) MAPK1CES1CA1CA2TDP1
SCHEMBL1459733 0.85 MAPK1 (0.58) MAPK1CES1CA1CA2TDP1
SCHEMBL29084329 0.85 MAPK1 (0.58) MAPK1CES1CA1CA2TDP1
SCHEMBL27490020 0.83 MAPK1 (0.61) MAPK1CES1CA1CA2TDP1
SCHEMBL8942192 0.83 TDP1 (0.58) MAPK1CES1CA1CA2TDP1
SCHEMBL24421736 0.82 MAPK1 (0.55) MAPK1CES1CA1CA2TDP1
SCHEMBL16234984 0.82 MAPK1 (0.55) MAPK1CES1CA1CA2TDP1
SCHEMBL11068120 0.82 TSHR (0.59) MAPK1CES1CA1CA2TDP1
SCHEMBL14410622 0.82 TDP1 (0.56) MAPK1CES1CA1CA2TDP1
SCHEMBL29101987 0.82 MAPK1 (0.55) MAPK1CES1CA1CA2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11833213-B2 Compositions and methods for the treatment of viral infections CIDARA THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
EP-4265628-A2 REVERSIBLE MODIFICATION OF NUCLEOTIDES Pacific Biosciences of California, Inc. (US) 2023-10-25 EP disclosed
US-11673130-B2 Catalyst system containing a metathesis catalyst and at least one phenolic compound and a process for metathesis of nitrile-butadiene rubber (NBR) using the catalyst system ARLANXEO DEUTSCHLAND GMBH (DE) 2023-06-13 US disclosed
US-20230148417-A1 FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
US-11325905-B2 Imidopiperidine compounds as inhibitors of human polynucleotide kinase phosphatase THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-05-10 US disclosed
WO-2021050681-A1 REVERSIBLE MODIFICATION OF NUCLEOTIDES Omniome, Inc. (US) 2021-03-18 WO disclosed
US-20200148675-A1 IMIDOPIPERIDINE COMPOUNDS AS INHIBITORS OF HUMAN POLYNUCLEOTIDE KINASE PHOSPHATASE THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2020-05-14 US disclosed
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 US disclosed
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 US disclosed
US-9452973-B2 Modulators of the relaxin receptor 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-09-27 US disclosed
US-7470722-B2 Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2008-12-30 US disclosed
US-7470722-B2 Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2008-12-30 US disclosed
US-7470722-B2 Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2008-12-30 US disclosed
US-20080269228-A1 HYDRAZIDE-CONTAINING HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 US disclosed
US-20080269228-A1 HYDRAZIDE-CONTAINING HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 US disclosed
WO-2007089430-A1 DIISOCYANATE TERMINATED MACROMER AND METHOD OF MAKING ETHICON, INC. (US) 2007-08-09 WO disclosed
US-20060030543-A1 Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. 2006-02-09 US disclosed
WO-2005123089-A2 MULTICYCLIC SULFONAMIDE COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2005-12-29 WO disclosed
WO-2005123089-A2 MULTICYCLIC SULFONAMIDE COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2005-12-29 WO disclosed
US-6229022-B1 REACTING CARBONYL COMPOUNDS WITH HYDRAZINE, ITS HYDRATE OR SALTS IN THE PRESENCE OF SULFURIC ACID AND IODINE OR AN IODINE LIBERATING COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2001-05-08 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 (7 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-20060030543-A1 Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease HDAC6, HDAC3, HDAC5 MAPK1 2472/4885CES1 2599/4885CA1 3635/4885
US-11325905-B2 Imidopiperidine compounds as inhibitors of human polynucleotide kinase phosphatase PNKP, PPM1A, PPM1B MAPK1 321/4885CES1 3565/4885CA1 4676/4885
US-20200148675-A1 IMIDOPIPERIDINE COMPOUNDS AS INHIBITORS OF HUMAN POLYNUCLEOTIDE KINASE PHOSPHATASE PNKP, PPM1A, PPM1B MAPK1 321/4885CES1 3565/4885CA1 4676/4885
US-11833213-B2 Compositions and methods for the treatment of viral infections FCGR3B, ALB, FCGR1A MAPK1 3966/4885CES1 464/4885CA1 1330/4885
US-20230148417-A1 FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF WEE2, AKT1S1, WEE1 MAPK1 95/4885CES1 903/4885CA1 4098/4885
US-20080269228-A1 HYDRAZIDE-CONTAINING HEPATITIS C SERINE PROTEASE INHIBITORS HPN, SPINT2, PRSS1 MAPK1 2577/4885CES1 20/4885CA1 767/4885
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 MAPK1 1480/4885CES1 722/4885CA1 3558/4885

“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.