SCHEMBL3565456

SCHEMBL3565456

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
HTT P42858 3/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.36
TAS2R14 Q9NYV8 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 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 0.88 HPGD (0.42) HPGDHTTPOLBLMNASMN1; SMN2
SCHEMBL3556052 0.85 HPGD (0.40) HPGDHTTPOLBLMNASMN1; SMN2
SCHEMBL3556352 0.84 GPR119 (0.42)
SCHEMBL2398132 0.80 ADH1A (0.44) HTTPOLBALDH1A1KDM4EMEN1
SCHEMBL12596942 0.80 ADH1A (0.44) HTTPOLBALDH1A1KDM4EMEN1
SCHEMBL3564342 0.78 GPR119 (0.42)
SCHEMBL3567525 0.76 ADH1A (0.37) HPGDCNR2ALDH1A1MEN1KMT2A
SCHEMBL3562025 0.75 GPR119 (0.39)
SCHEMBL12529896 0.72 ADH1A (0.45) RAB9A
SCHEMBL16486870 0.72 ADH1A (0.45) RAB9A

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 4056/4885POLB 1623/4885

“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.