SCHEMBL3564336

SCHEMBL3564336

CN(C)CCOc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(N)c3cc(S(=O)(=O)NCCO)ccc43)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39
FLT3 P36888 1/20 0.38
BRAF P15056 5/20 0.36
SYK P43405 3/20 0.34
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
GHSR Q92847 2/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
OXTR P30559 1/20 0.30
AVPR1A P37288 1/20 0.30

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
SCHEMBL3558799 0.92 PDGFRB (0.41) PDGFRBPDGFRAFLT3SYKDRD2
SCHEMBL3568577 0.91 PDGFRB (0.38) PDGFRBPDGFRAFLT3BRAFSYK
SCHEMBL3561420 0.90 PDGFRB (0.42) PDGFRBPDGFRAFLT3DRD2DRD3
SCHEMBL3556053 0.90 PDGFRB (0.42) PDGFRBPDGFRAFLT3DRD2DRD3
SCHEMBL3565238 0.88 PDGFRB (0.42) PDGFRBPDGFRAFLT3DRD2DRD3
SCHEMBL3557887 0.87 PDGFRB (0.39) PDGFRBPDGFRAFLT3BRAFDRD2
SCHEMBL8113421 0.85 PDGFRB (0.51) PDGFRBPDGFRAFLT3DRD2DRD3
SCHEMBL3563460 0.85 FLT3 (0.43) PDGFRBPDGFRAFLT3DRD2DRD3
SCHEMBL3559419 0.85 PDGFRB (0.44) PDGFRBPDGFRAFLT3DRD2DRD3
SCHEMBL3563829 0.85 PDGFRB (0.44) PDGFRBPDGFRAFLT3DRD2DRD3

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 4 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 claimed
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 claimed
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 PDGFRB 2218/4885PDGFRA 2104/4885FLT3 2748/4885

“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.