SCHEMBL2248302

SCHEMBL2248302

Nc1cc2c(cc1[N+](=O)[O-])CCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MCL1 Q07820 1/20 0.50
TDP1 Q9NUW8 4/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 3/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SIRT6 Q8N6T7 1/20 0.41
GPR35 Q9HC97 1/20 0.39

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
SCHEMBL2246168 0.98 MAPT (0.49) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL1669119 0.96 MAPT (0.50) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL9452619 0.85 MAPT (0.41) MAPTPOLBL3MBTL1ALDH1A1TSHR
SCHEMBL29119485 0.83 MAPT (0.49) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL29859791 0.83 MAPT (0.49) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL29119482 0.82 MAPT (0.55) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL31275806 0.78 MAPT (0.49) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL2243673 0.78 MAPT (0.66) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL29119445 0.78 MAPT (0.43) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL596168 0.78 MAPT (0.62) MAPTMEN1KMT2APOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3091019-A2 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS Sloan Kettering Institute For Cancer Research (US) 2016-11-09 EP disclosed
US-20160310497-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2016-10-27 US disclosed
US-20160310497-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2016-10-27 US disclosed
EP-2486039-B1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS SLOAN KETTERING INST CANCER (US) 2016-06-01 EP disclosed
US-9328114-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-05-03 US disclosed
US-9328114-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-05-03 US disclosed
US-20120208806-A1 Hsp90 Inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-08-16 US disclosed
US-7989451-B2 Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2011-08-02 US disclosed
US-7989451-B2 Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2011-08-02 US disclosed
US-7989451-B2 Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2011-08-02 US disclosed
WO-2011044394-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-04-14 WO disclosed
EP-1866292-B1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LTD (NZ) 2010-12-15 EP disclosed
EP-1866292-B1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LTD (NZ) 2010-12-15 EP disclosed
US-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments AUCKLAND UNISERVICES LIMITED (NZ) 2009-07-23 US disclosed
US-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments AUCKLAND UNISERVICES LIMITED (NZ) 2009-07-23 US disclosed
US-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments AUCKLAND UNISERVICES LIMITED (NZ) 2009-07-23 US disclosed
EP-1866292-A1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS Auckland Uniservices Limited (NZ) 2007-12-19 EP disclosed
WO-2006104406-A1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LIMITED (NZ) 2006-10-05 WO 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-20120208806-A1 Hsp90 Inhibitors HSP90B1, HSP90AB1, HSP90AB2P MAPT 2025/4885MEN1 4533/4885KMT2A 4184/4885
US-20160310497-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS XDH, HSP90B1, HSP90AA1 MAPT 3907/4885MEN1 4847/4885KMT2A 4154/4885
US-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments HIF1AN, HIF1A, HYOU1 MAPT 4035/4885MEN1 3240/4885KMT2A 1065/4885

“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.