SCHEMBL4415542

SCHEMBL4415542

COC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 2/20 0.52
ALDH1A1 P00352 6/20 0.52
MAPT P10636 4/20 0.52
KDM4E B2RXH2 3/20 0.49
MAPK1 P28482 2/20 0.47
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
AKR1B10 O60218 1/20 0.47
AKR1B1 P15121 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C1 Q04828 1/20 0.47
KMT2A Q03164 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ABCC4 O15439 1/20 0.47
PLIN1 O60240 1/20 0.47
CACNA1F O60840 1/20 0.47
GMNN O75496 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
SCHEMBL5863528 1.00 TSHR (0.64) TSHRTDP1L3MBTL1POLBALDH1A1
SCHEMBL50994 0.90 TSHR (0.54) TSHRTDP1L3MBTL1POLBALDH1A1
Benzene SCHEMBL27561238 0.88 L3MBTL1 (0.59) TSHRTDP1L3MBTL1POLBALDH1A1
SCHEMBL2598194 0.88 L3MBTL1 (0.59) TSHRTDP1L3MBTL1POLBALDH1A1
SCHEMBL1612393 0.88 TSHR (0.51) TSHRTDP1L3MBTL1POLBALDH1A1
SCHEMBL3803733 0.87 TSHR (0.58) TSHRTDP1L3MBTL1POLBALDH1A1
SCHEMBL11398188 0.87 TDP1 (0.56) TSHRTDP1L3MBTL1POLBALDH1A1
SCHEMBL4406921 0.86 TSHR (0.50) TSHRTDP1L3MBTL1POLBALDH1A1
SCHEMBL9048711 0.86 L3MBTL1 (0.58) TSHRTDP1L3MBTL1POLBALDH1A1
SCHEMBL5469003 0.86 TSHR (0.50) TSHRTDP1L3MBTL1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664027-B1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2009-12-30 EP disclosed
US-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 US disclosed
US-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 US disclosed
US-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1664027-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 EP disclosed
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. 2005-03-10 US disclosed
WO-2005021532-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP disclosed
EP-0825187-A1 Condensed pyridazinyl guanidines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-25 EP disclosed
WO-1997047589-A1 AMINOPHTHALIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-18 WO disclosed
EP-0133310-B1 IMIDAZOLIDINONES, AND IMIDAZOLIDINETHIONES, PROCESS FOR THE PREPARATION THEREOF, AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1988-09-14 EP disclosed
US-4608079-A Imidazolidinones, and imidazolidinethiones, process and intermediates for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1986-08-26 US disclosed
US-4554013-A Herbicidal imidazolinyl naphthoic acids AMERICAN CYANAMID COMPANY (US) 1985-11-19 US disclosed
EP-0133311-A2 Substituted imidazolinyl benzoic acids, esters and salts and use thereof as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1985-02-20 EP disclosed
EP-0133310-A1 Imidazolidinones, and imidazolidinethiones, process for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1985-02-20 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 (3 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC TSHR 1383/4885TDP1 3540/4885L3MBTL1 1537/4885
US-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 TSHR 101/4885TDP1 2393/4885L3MBTL1 1747/4885
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use VHL, DPYD, UGT1A1 TSHR 4786/4885TDP1 955/4885L3MBTL1 1698/4885

“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.