Sugi Predict

Sugi Predict / Compounds / SCHEMBL3569771

SCHEMBL3569771

SCHEMBL3569771

COc1cc2cc(C(=O)N3CC(CCl)c4c3cc([N+](=O)[O-])c3cc(C(=O)NCCO)ccc43)[nH]c2c(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HB P07237 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ FBP1 P09467 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ BRD9 Q9H8M2 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CNR2 P34972 1/20 0.31

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
SCHEMBL3555585 0.93 P4HB (0.42) P4HBHSP90AA1PRMT5WDR77ALDH1A1
SCHEMBL3557910 0.91 P4HB (0.46) P4HBHSP90AA1ALDH1A1KDM4ELMNA
SCHEMBL3562202 0.90 P4HB (0.42) P4HBHSP90AA1PRMT5WDR77ALDH1A1
SCHEMBL3561821 0.90 P4HB (0.47) P4HBHSP90AA1ALDH1A1KDM4ELMNA
SCHEMBL3557717 0.89 P4HB (0.46) P4HBHSP90AA1ALDH1A1KDM4ELMNA
SCHEMBL3561177 0.88 P4HB (0.46) P4HBHSP90AA1ALDH1A1KDM4ELMNA
SCHEMBL3559441 0.87 P4HB (0.48) P4HBHSP90AA1ALDH1A1KDM4ELMNA
SCHEMBL5623259 0.86 P4HB (0.49) P4HBHSP90AA1ALDH1A1KDM4ELMNA
SCHEMBL5624285 0.86 P4HB (0.49) P4HBHSP90AA1ALDH1A1KDM4ELMNA
SCHEMBL6205630 0.86 P4HB (0.49) P4HBHSP90AA1ALDH1A1KDM4ELMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 P4HB 1449/4885HSP90AA1 592/4885PRMT5 1388/4885

“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.