SCHEMBL681530

SCHEMBL681530

CCCn1c([N+](=O)[O-])cnc1C

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.73
MAPK1 P28482 2/20 0.73
ALDH1A1 P00352 2/20 0.73
THRB P10828 1/20 0.73
TSHR P16473 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.70
CA1 P00915 5/20 0.66
CA2 P00918 5/20 0.66
CA9 Q16790 5/20 0.66
CA12 O43570 4/20 0.61
GLA P06280 1/20 0.61
ATM Q13315 1/20 0.60
GAA P10253 1/20 0.57
CHRM1 P11229 1/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.51
KDR P35968 1/20 0.51
KDM4E B2RXH2 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
SCHEMBL11863715 0.90 LMNA (0.69) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL28927348 0.88 LMNA (0.76) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL4860551 0.87 LMNA (0.66) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL7949201 0.86 LMNA (0.68) LMNAMAPK1ALDH1A1THRBTSHR
Metronidazole SCHEMBL2670090 0.85 LMNA (0.94) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL4091924 0.85 LMNA (0.71) LMNAMAPK1ALDH1A1THRBTSHR
Metronidazole SCHEMBL2221140 0.85 LMNA (1.00) LMNAMAPK1ALDH1A1THRBTSHR
Metronidazole SCHEMBL5313560 0.85 LMNA (1.00) LMNAMAPK1ALDH1A1THRBTSHR
Metronidazole SCHEMBL9482744 0.85 LMNA (1.00) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL11521436 0.85 LMNA (0.71) LMNAMAPK1ALDH1A1THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649215-B2 Compositions and methods for the treatment of oral infectious diseases CELLIX BIO PRIVATE LIMITED (IN) 2023-05-16 US disclosed
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 US disclosed
US-9028799-B2 Nitroimidazole-amino acid hypoxia contrast medium, preparation method and use thereof RUAN JIANPING (CN) 2015-05-12 US disclosed
WO-2015025283-A2 DUAL ACTION CARBONIC ANHYDRASE INHIBITORS STICHTING MAASTRICHT RADIATION ONCOLOGY "MAASTRO-CLINIC" (NL) 2015-02-26 WO disclosed
US-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
US-20110206604-A1 NITROIMIDAZOLE-AMINO ACID HYPOXIA CONTRAST MEDIUM, PREPARATION METHOD AND USE THEREOF RUAN JIANPING 2011-08-25 US disclosed
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2011-03-03 US disclosed
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
US-7723523-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-25 US disclosed
EP-1753512-B1 TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2008-07-09 EP disclosed
US-7393827-B2 Pharmaceutical compositions and methods for restoring β-cell mass and function DIAKINE THERAPEUTICS, INC. (US) 2008-07-01 US disclosed
EP-1756118-B1 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2008-05-28 EP disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2007-11-08 US disclosed
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2007-11-08 US disclosed
US-20070244112-A1 Novel tetrahydropyridothiophenes ALTANA PHARMA AG (DE) 2007-10-18 US disclosed
US-20070244112-A1 Novel tetrahydropyridothiophenes ALTANA PHARMA AG (DE) 2007-10-18 US disclosed
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer NYCOMED GMBH (DE) 2007-09-13 US disclosed
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer NYCOMED GMBH (DE) 2007-09-13 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 (8 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-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 LMNA 376/4885MAPK1 1250/4885ALDH1A1 3797/4885
US-11649215-B2 Compositions and methods for the treatment of oral infectious diseases SI, HBG1, HBG2 LMNA 1815/4885MAPK1 3699/4885ALDH1A1 3560/4885
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS NQO1, TXN2, MPO LMNA 2408/4885MAPK1 4332/4885ALDH1A1 1589/4885
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 LMNA 350/4885MAPK1 1749/4885ALDH1A1 3599/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD LMNA 3889/4885MAPK1 1328/4885ALDH1A1 683/4885
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer BCL2, BAX, MCL1 LMNA 3882/4885MAPK1 2300/4885ALDH1A1 317/4885
US-20110206604-A1 NITROIMIDAZOLE-AMINO ACID HYPOXIA CONTRAST MEDIUM, PREPARATION METHOD AND USE THEREOF HIF1AN, HIF1A, NUCB2 LMNA 1372/4885MAPK1 1567/4885ALDH1A1 4686/4885
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes RB1, BAX, BCL2 LMNA 3601/4885MAPK1 599/4885ALDH1A1 412/4885

“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.