SCHEMBL13345035

SCHEMBL13345035

CCCCOP(=O)(OCCCC)OCCNS(=O)(=O)c1ccc2c3c(cc([N+](=O)[O-])c2c1)N(C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1)CC3CCl

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.34
PDGFRA P16234 2/20 0.34
FLT3 P36888 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
BCL2 P10415 1/20 0.30
BCL2L1 Q07817 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGAV P06756 1/20 0.30
LGALS8 O00214 1/20 0.30
LGALS3 P17931 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
SCHEMBL3565832 0.93 PDGFRB (0.36) PDGFRBPDGFRAFLT3ALDH1A1LMNA
SCHEMBL3555532 0.93 PDGFRB (0.34) PDGFRBPDGFRAFLT3ALDH1A1LMNA
SCHEMBL3557887 0.91 PDGFRB (0.39) PDGFRBPDGFRAFLT3ALDH1A1LMNA
SCHEMBL3568577 0.90 PDGFRB (0.38) PDGFRBPDGFRAFLT3ALDH1A1LMNA
SCHEMBL3557753 0.88 PDGFRB (0.40) PDGFRBPDGFRAFLT3ITGB3ITGAV
SCHEMBL3569951 0.88 PDGFRB (0.40) PDGFRBPDGFRAFLT3LMNAMAPT
SCHEMBL3566388 0.87 PDGFRB (0.39) PDGFRBPDGFRAFLT3ITGB3ITGAV
SCHEMBL3562193 0.87 PDGFRB (0.38) PDGFRBPDGFRAFLT3LGALS8LGALS3
Hydrochloric Acid SCHEMBL3559042 0.87 PDGFRB (0.39) PDGFRBPDGFRAFLT3ITGB3ITGAV
SCHEMBL13853581 0.86 MEN1 (0.34) PDGFRBPDGFRAFLT3ALDH1A1LMNA

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 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.