SCHEMBL3564945

SCHEMBL3564945

O=C(N1CC(CCl)c2c1ccc1c(I)cccc21)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.44
KIT P10721 2/20 0.44
FLT1 P17948 2/20 0.44
KDR P35968 2/20 0.44
ABL2 P42684 2/20 0.44
FLT4 P35916 1/20 0.44

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
SCHEMBL3563753 0.87 ADH1A (0.43) ADH1AKITFLT1KDRABL2
SCHEMBL3565079 0.84 ADH1A (0.43) ADH1AKITFLT1KDRABL2
SCHEMBL3560033 0.84 ADH1A (0.42) ADH1AKITFLT1KDRABL2
SCHEMBL3557419 0.84 ADH1A (0.42) ADH1AKITFLT1KDRABL2
SCHEMBL3565799 0.82 ADH1A (0.46) ADH1AKITFLT1KDRABL2
SCHEMBL30373903 0.79 ADH1A (0.69) ADH1AKITFLT1KDRABL2
SCHEMBL16487233 0.79 ADH1A (0.69) ADH1AKITFLT1KDRABL2
SCHEMBL16487231 0.79 ADH1A (0.69) ADH1AKITFLT1KDRABL2
SCHEMBL4591116 0.78 ADH1A (0.53) ADH1AKITFLT1KDRABL2
SCHEMBL18100030 0.76 ADH1A (0.51) ADH1AKITFLT1KDRABL2

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 ADH1A 162/4885KIT 2112/4885FLT1 1014/4885

“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.