SCHEMBL3557776

SCHEMBL3557776

CC(C)(C)OC(=O)N(c1ccc2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2c1)C(Br)C=CCl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.46
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
STAT5B P51692 1/20 0.39
CNR1 P21554 2/20 0.38
MCL1 Q07820 1/20 0.37
TAS2R14 Q9NYV8 6/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
PTPN1 P18031 3/20 0.36

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
SCHEMBL3566610 0.84 AKR1C3 (0.33)
SCHEMBL3831845 0.82 CNR2 (0.53) CNR2CA12CA1CA2CA4
SCHEMBL3851122 0.81 MEN1 (0.37) MEN1KMT2A
SCHEMBL3559616 0.81 AKR1C3 (0.36)
SCHEMBL3846552 0.76 CYP2A6 (0.36) MEN1KMT2AMAPT
SCHEMBL3559266 0.74 NCEH1 (0.35) PTPN1
SCHEMBL3563212 0.72 MAPT (0.55) CNR2CA12CA1CA2CA4
SCHEMBL3564219 0.71 NCEH1 (0.36) PTPN1
SCHEMBL3557774 0.71 STAT5B (0.39) CNR2CA12CA1CA2CA4
SCHEMBL3557778 0.71 STAT5B (0.39) CNR2CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718688-B2 Nitrobenzindoles and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2010-05-18 US disclosed
EP-1809603-A4 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LTD (NZ) 2009-09-02 EP disclosed
US-20080119442-A1 as hypoxia-selective drugs and radiosensitizers for cancer therapy; nitroreductase inhibitor; 1-(Chloromethyl)-5,6-dinitro-3-(5,6,7-trimethoxyindol-2-carbonyl)-1,2-dihydro-3H-benzo[e]indole; halogenation of naphthalene derivative followed by hydration and cyclization AUCKLAND UNISERVICES LIMITED (NZ) 2008-05-22 US disclosed
EP-1809603-A1 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY Auckland Uniservices Limited (NZ) 2007-07-25 EP disclosed
WO-2006043839-A1 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2006-04-27 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 (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-20080119442-A1 as hypoxia-selective drugs and radiosensitizers for cancer therapy; nitroreductase inhibitor; 1-(Chloromethyl)-5,6-dinitro-3-(5,6,7-trimethoxyindol-2-carbonyl)-1,2-dihydro-3H-benzo[e]indole; halogenation of naphthalene derivative followed by hydration and cyclization HIF1AN, HYOU1, HIF1A CNR2 175/4885CA12 1403/4885CA1 612/4885

“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.