SCHEMBL8713449

SCHEMBL8713449

Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.71
MEN1 O00255 7/20 0.71
RAB9A P51151 6/20 0.71
NPC1 O15118 6/20 0.71
POLB P06746 3/20 0.71
MITF O75030 2/20 0.71
MAPT P10636 9/20 0.69
LMNA P02545 5/20 0.69
MAPK1 P28482 3/20 0.69
ALDH1A1 P00352 2/20 0.69
GAA P10253 1/20 0.69
XBP1 P17861 1/20 0.69
HTT P42858 2/20 0.68
ATM Q13315 1/20 0.66
SMN1; SMN2 Q16637 5/20 0.65
MMP2 P08253 2/20 0.60
MMP9 P14780 2/20 0.60
MMP8 P22894 2/20 0.60
MMP13 P45452 2/20 0.60

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
SCHEMBL12406969 1.00 KMT2A (0.71) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL20313717 1.00 KMT2A (0.71) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL8572381 0.92 KMT2A (0.83) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL9134339 0.92 KMT2A (0.83) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL23898948 0.92 KMT2A (0.83) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL9137742 0.87 KMT2A (0.71) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL24291388 0.87 MAPT (0.74) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL9137298 0.87 KMT2A (0.71) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL24213121 0.87 KMT2A (0.76) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL16367722 0.87 KMT2A (0.76) KMT2AMEN1RAB9ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682931-B2 Aryloyl(oxy or amino)pentafluorosulfanylbenzene compound, pharmaceutically acceptable salt thereof, and prodrugs thereof UBE INDUSTRIES, LTD. (JP) 2017-06-20 US disclosed
US-20160244407-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF UBE INDUSTRIES, LTD. (JP) 2016-08-25 US disclosed
US-9134328-B2 Methods of using benzothiazole derivative compounds and compositions University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-09-15 US disclosed
US-8927584-B2 Synthesis of 2-(4-aminophenyl)benzothiazole derivatives and use thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2015-01-06 US disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-20140220590-A1 METHODS OF USING BENZOTHIAZOLE DERIVATIVE COMPOUNDS AND COMPOSITIONS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-08-07 US disclosed
US-20140046290-A1 SYNTHESIS OF 2-(4-AMINOPHENYL)BENZOTHIAZOLE DERIVATIVES AND USE THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2014-02-13 US disclosed
US-8592603-B2 Synthesis of 2-(4-aminophenyl) benzothiazole derivatives and use thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-11-26 US disclosed
US-8580229-B2 Amyloid imaging as a surrogate marker for efficacy of anti-amyloid therapies University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2013-11-12 US disclosed
US-20130045164-A1 AMYLOID IMAGING AS A SURROGATE MARKER FOR EFFICACY OF ANTI-AMYLOID THERAPIES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2013-02-21 US disclosed
US-8343457-B2 Amyloid imaging as a surrogate marker for efficacy of anti-amyloid therapies University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2013-01-01 US disclosed
US-20120215154-A1 SYNTHESIS OF 2-(4-AMINOPHENYL) BENZOTHIAZOLE DERIVATIVES AND USE THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2012-08-23 US disclosed
US-8236282-B2 Benzothiazole derivative compounds, compositions and uses University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2012-08-07 US disclosed
US-20120177572-A1 AMYLOID IMAGING AS A SURROGATE MARKER FOR EFFICACY OF ANTI-AMYLOID THERAPIES UNIVERSITY OF PITTSBURGH- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2012-07-12 US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
US-20100021388-A1 BENZOTHIAZOLE DERIVATIVE COMPOUNDS, COMPOSITIONS AND USES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2010-01-28 US disclosed
US-20080190855-A1 removing toxic heavy metal ions from water for drinking water filtration or environmental cleanup; carbon attached directly to the amino acid via carboxyl groups on the surface; converting surface carboxyl groups to acyl halide groups and then contacting with amino acid; carbon electrode; graphite powder ISIS INNOVATION LIMITED (GB) 2008-08-14 US disclosed
US-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed
EP-0661266-A1 Substituted cyclic amine compounds as 5HT2 antagonists TOA EIYO LTD. (JP) 1995-07-05 EP disclosed
US-4447515-A DIACYLAMINE COMPOUND ADDED FUJI PHOTO FILM CO., LTD. (JP) 1984-05-08 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 (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-20080190855-A1 removing toxic heavy metal ions from water for drinking water filtration or environmental cleanup; carbon attached directly to the amino acid via carboxyl groups on the surface; converting surface carboxyl groups to acyl halide groups and then contacting with amino acid; carbon electrode; graphite powder GLUL, SLC3A2, ARGLU1 KMT2A 930/4885MEN1 4371/4885RAB9A 603/4885
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 KMT2A 3452/4885MEN1 3205/4885RAB9A 2622/4885
US-20120177572-A1 AMYLOID IMAGING AS A SURROGATE MARKER FOR EFFICACY OF ANTI-AMYLOID THERAPIES TTR, APP, SAAL1 KMT2A 4494/4885MEN1 582/4885RAB9A 3270/4885
US-20130045164-A1 AMYLOID IMAGING AS A SURROGATE MARKER FOR EFFICACY OF ANTI-AMYLOID THERAPIES TTR, APP, SAAL1 KMT2A 4494/4885MEN1 582/4885RAB9A 3270/4885
US-20100021388-A1 BENZOTHIAZOLE DERIVATIVE COMPOUNDS, COMPOSITIONS AND USES APP, MAPT, PSEN1 KMT2A 2493/4885MEN1 1105/4885RAB9A 4158/4885
US-20140046290-A1 SYNTHESIS OF 2-(4-AMINOPHENYL)BENZOTHIAZOLE DERIVATIVES AND USE THEREOF CCNT1, PPOX, TPT1 KMT2A 2192/4885MEN1 1141/4885RAB9A 2984/4885
US-20120215154-A1 SYNTHESIS OF 2-(4-AMINOPHENYL) BENZOTHIAZOLE DERIVATIVES AND USE THEREOF HCCS, PAH, PPOX KMT2A 627/4885MEN1 1027/4885RAB9A 4265/4885
US-20160244407-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF SLCO1B1, SLCO2B1, SLCO1B3 KMT2A 1810/4885MEN1 4343/4885RAB9A 793/4885

“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.