SCHEMBL3561771

SCHEMBL3561771

CC(C)(C)OC(=O)Nc1ccc2cc(S(C)(=O)=O)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.56
RORC P51449 6/20 0.46
CA1 P00915 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
MMP8 P22894 2/20 0.44
MMP3 P08254 1/20 0.44
ACACB O00763 1/20 0.44
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
ATM Q13315 1/20 0.43
CA2 P00918 2/20 0.43
ADAMTS4 O75173 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
SCHEMBL3554857 0.96 KAT6A (0.55) KAT6ARORCCA1CA12CA9
SCHEMBL20642214 0.89 KAT6A (0.56) KAT6ARORCCA1CA12CA9
SCHEMBL2192110 0.86 TGM2 (0.53) CA1CA12CA9MMP8CA2
SCHEMBL3403454 0.82 KAT6A (0.60) KAT6ACA1CA12CA9
SCHEMBL30216106 0.82 KAT6A (0.60) KAT6ACA1CA12CA9
SCHEMBL23158879 0.81 KAT6A (0.50) KAT6ACA1CA12CA9
SCHEMBL20932800 0.79 MEN1 (0.47) KAT6ACA1CA12CA9ATM
SCHEMBL22804523 0.79 CA12 (0.47) KAT6ARORCCA1CA12CA9
SCHEMBL4672586 0.79 NPC1 (0.50) KAT6ACA1CA12CA9MMP8
SCHEMBL12599766 0.79 CA12 (0.47) KAT6ACA1CA12CA9

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 KAT6A 2753/4885RORC 614/4885CA1 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.