SCHEMBL3556052

SCHEMBL3556052

O=C(N1CC(CCl)c2c1ccc1ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc21)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN1 P18031 2/20 0.38
TAS2R14 Q9NYV8 7/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CXCR3 P49682 2/20 0.38
POLB P06746 1/20 0.37
CNR2 P34972 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3830534 0.90 HPGD (0.42) HPGDHTTLMNAMAPK1SMN1; SMN2
SCHEMBL3565456 0.85 HPGD (0.40) HPGDHTTLMNAMAPK1SMN1; SMN2
SCHEMBL3565799 0.79 ADH1A (0.46) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL3559296 0.77 CA12 (0.37)
SCHEMBL3559992 0.73 ADH1A (0.37) HPGDHTTLMNASMN1; SMN2ALDH1A1
SCHEMBL3554648 0.71 MAPT (0.37) HTTALDH1A1
SCHEMBL3558566 0.70 MAPT (0.38) HPGDALDH1A1
SCHEMBL16487233 0.69 ADH1A (0.69)
SCHEMBL30373903 0.69 ADH1A (0.69)
SCHEMBL16487231 0.69 ADH1A (0.69)

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 HPGD 16/4885HTT 4056/4885LMNA 3875/4885

“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.