SCHEMBL6674367

SCHEMBL6674367

CSc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
TDP1 Q9NUW8 5/20 0.58
ALDH1A1 P00352 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
CYP3A4 P08684 4/20 0.58
MAPT P10636 4/20 0.58
POLB P06746 2/20 0.58
ALOX15 P16050 1/20 0.58
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
PDE7A Q13946 1/20 0.41

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
SCHEMBL914291 0.85 TDP1 (0.58) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL28506022 0.85 TDP1 (0.62) TSHRTDP1ALDH1A1MEN1KMT2A
Fluoride SCHEMBL28506024 0.83 TDP1 (0.60) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL11633022 0.82 TSHR (0.51) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL10507049 0.81 TSHR (0.47) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL18815092 0.81 TSHR (0.54) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL11833302 0.80 TSHR (0.50) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL11833300 0.80 TSHR (0.50) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL11039924 0.79 TSHR (0.56) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL9808928 0.79 MAPT (0.51) TSHRTDP1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1468688-A2 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments Auckland Uniservices Limited (NZ) 2004-10-20 EP disclosed
US-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2004-09-30 US disclosed
EP-1079829-B1 USE OF BENZOFUROXAN DERIVATIVES IN TREATING ANGINA PECTORIS TORRENT PHARMACEUTICALS LTD (IN) 2003-07-23 EP disclosed
CN-1302205-A Use of benzofuroxan derivatives for treating angina pectoris TORANTO MEDICINE CO LTD (IN) 2001-07-04 CN disclosed
US-6232331-B1 TOLERANCE RESISTANT NITRIC OXIDE DONORS IN TREATMENT OF ANGINA PECTORIS TORRENT PHARMACEUTICAL LTD. (IN) 2001-05-15 US disclosed
EP-0536151-B1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM BOOTS CO PLC (GB) 1994-09-14 EP disclosed
US-5302720-A Biphenyl-substituted guanidine derivatives useful as hypoglycaemic agents THE BOOTS COMPANY (GB) 1994-04-12 US disclosed
EP-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP disclosed
WO-1992000273-A1 ORTHOSUBSTITUTED BIPHENYL AMIDINE AND BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM THE BOOTS COMPANY PLC (GB) 1992-01-09 WO disclosed
EP-0209707-A2 2-Aryl imidazoles, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-01-28 EP disclosed
US-4080461-A PESTICIDES, FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1978-03-21 US disclosed
US-4072696-A 5(6)-Benzene ring substituted benzimidazole-2-carbamate derivatives having anthelmintic activity SYNTEX (U.S.A.) INC. (US) 1978-02-07 US disclosed
US-4002640-A ANTIFUNGAL AGENTS SYNTEX (U.S.A.) INC. (US) 1977-01-11 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 (1 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-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments NPM1, DUOX1, NOX5 TSHR 4551/4885TDP1 3004/4885ALDH1A1 609/4885

“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.