SCHEMBL3569852

SCHEMBL3569852

CC(C)(C)OC(=O)N1CC(CCl)c2c1ccc1cc(C#N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.39
NCEH1 Q6PIU2 2/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
AR P10275 1/20 0.36
ADH1A P07327 1/20 0.35
KIT P10721 1/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
ABL2 P42684 1/20 0.35
NR1H2 P55055 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CETP P11597 1/20 0.34
KDM2B Q8NHM5 5/20 0.34

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
SCHEMBL3562025 0.93 GPR119 (0.39) GPR119CCNCCDK8ARADH1A
SCHEMBL3556119 0.86 GPR119 (0.39) GPR119NCEH1CCNCCDK8AR
SCHEMBL8139462 0.85 ADH1A (0.48) GPR119CCNCCDK8ARADH1A
SCHEMBL3564342 0.82 GPR119 (0.42) GPR119NR1H2
SCHEMBL3567802 0.82 HDAC1 (0.43) ADH1AKITFLT1FLT4KDR
SCHEMBL2398132 0.82 ADH1A (0.44) ADH1AKITFLT1FLT4KDR
SCHEMBL12596942 0.82 ADH1A (0.44) ADH1AKITFLT1FLT4KDR
SCHEMBL8191512 0.79 GPR119 (0.39) GPR119ADH1AKITFLT1FLT4
SCHEMBL3567525 0.79 ADH1A (0.37) GPR119CDK8ADH1AKITFLT1
SCHEMBL3556352 0.77 GPR119 (0.42) GPR119NR1H2

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 2 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
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

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 GPR119 758/4885NCEH1 479/4885CCNC 1413/4885

“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.