SCHEMBL3560409

SCHEMBL3560409

CC(C)(C)OC(=O)Nc1ccc2ccc(C#N)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.51
F2 P00734 1/20 0.51
PLG P00747 1/20 0.51
KLKB1 P03952 1/20 0.51
PRSS1 P07477 1/20 0.51
EGLN2 Q96KS0 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KAT6A Q92794 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
RORC P51449 5/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PTPN11 Q06124 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
SCHEMBL3557455 0.96 PLAU (0.56) PLAUF2PLGKLKB1PRSS1
SCHEMBL959690 0.84 EGLN2 (0.55) EGLN2MEN1KMT2ARAB9ACA12
SCHEMBL4500941 0.82 PDK1 (0.59) EGLN2MEN1KMT2ANPC1RAB9A
SCHEMBL30849775 0.82 PDK1 (0.59) EGLN2MEN1KMT2ANPC1RAB9A
SCHEMBL14037475 0.80 KAT6A (0.49) KAT6ACA12CA1CA9ALDH1A1
SCHEMBL3403454 0.80 KAT6A (0.60) MEN1KMT2ANPC1RAB9AKAT6A
SCHEMBL30216106 0.80 KAT6A (0.60) MEN1KMT2ANPC1RAB9AKAT6A
SCHEMBL15774266 0.80 GSK3B (0.45) EGLN2CA12CA1CA9TTK
SCHEMBL3567785 0.79 CYP17A1 (0.49) MEN1KMT2ANPC1RAB9AKAT6A
SCHEMBL21185880 0.78 SCN9A (0.45) PLAUF2PLGKLKB1PRSS1

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 PLAU 3927/4885F2 3729/4885PLG 2437/4885

“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.