Sugi Predict

Sugi Predict / Compounds / SCHEMBL3558952

SCHEMBL3558952

SCHEMBL3558952

CC(C)(C)OC(=O)N1CC(CCl)c2c1cc([N+](=O)[O-])c1ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADH1A P07327 2/20 0.47
▸ KIT P10721 2/20 0.47
▸ FLT1 P17948 2/20 0.47
▸ KDR P35968 2/20 0.47
▸ ABL2 P42684 2/20 0.47
▸ FLT4 P35916 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MCL1 Q07820 5/20 0.33
▸ CTSB P07858 1/20 0.33
▸ AR P10275 1/20 0.33
▸ MET P08581 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM1 P11229 1/20 0.32

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
SCHEMBL4590751 0.91 ADH1A (0.36) ADH1AKITFLT1KDRABL2
SCHEMBL6206384 0.86 MET (0.34) ADH1AKITFLT1KDRABL2
SCHEMBL8105803 0.86 MET (0.34) ADH1AKITFLT1KDRABL2
SCHEMBL6204644 0.86 MET (0.34) ADH1AKITFLT1KDRABL2
SCHEMBL16933139 0.85 ADH1A (0.41) ADH1AKITFLT1KDRABL2
SCHEMBL16942006 0.85 ADH1A (0.41) ADH1AKITFLT1KDRABL2
SCHEMBL18089333 0.84 ADH1A (0.65) ADH1AKITFLT1KDRABL2
SCHEMBL1903631 0.84 ADH1A (0.65) ADH1AKITFLT1KDRABL2
SCHEMBL1899623 0.84 ADH1A (0.65) ADH1AKITFLT1KDRABL2
SCHEMBL16781599 0.84 ADH1A (0.65) ADH1AKITFLT1KDRABL2

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 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
EP-0938474-B1 CYCLOPROPYLINDOLE COMPOUNDS AND THEIR USE AS PRODRUGS AUCKLAND UNISERVICES LTD (NZ) 2005-11-23 — — EP disclosed
US-6130237-A Condensed N-aclyindoles as antitumor agents CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-10-10 — — 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 ADH1A 162/4885KIT 2112/4885FLT1 1014/4885

“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.