Seco-Cbi-Indole

Seco-Cbi-Indole

SCHEMBL12596993

O=C(Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2c1)c1cc2ccccc2[nH]1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 1/20 0.51
KIT P10721 1/20 0.51
FLT1 P17948 1/20 0.51
FLT4 P35916 1/20 0.51
KDR P35968 1/20 0.51
ABL2 P42684 1/20 0.51
PYGL P06737 1/20 0.47
KDM1A O60341 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EGFR P00533 8/20 0.41
PIK3CA P42336 8/20 0.41
APP P05067 1/20 0.40
IDO1 P14902 1/20 0.39
AKR1C3 P42330 1/20 0.38
NHERF1 O14745 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
Seco-Cbi-Indole SCHEMBL29468891 1.00 ADH1A (0.51) ADH1AKITFLT1FLT4KDR
SCHEMBL14586778 0.93 ADH1A (0.49) ADH1AKITFLT1FLT4KDR
SCHEMBL12842016 0.93 ADH1A (0.49) ADH1AKITFLT1FLT4KDR
SCHEMBL12508919 0.93 ADH1A (0.49) ADH1AKITFLT1FLT4KDR
SCHEMBL436461 0.93 ADH1A (0.49) ADH1AKITFLT1FLT4KDR
SCHEMBL15765316 0.93 KDM1A (0.43) ADH1AKITFLT1FLT4KDR
SCHEMBL13669050 0.92 ADH1A (0.50) ADH1AKITFLT1FLT4KDR
SCHEMBL12126075 0.91 ADH1A (0.49) ADH1AKITFLT1FLT4KDR
SCHEMBL14665653 0.91 PYGL (0.43) ADH1AKITFLT1FLT4KDR
SCHEMBL14669467 0.91 PYGL (0.43) ADH1AKITFLT1FLT4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586974-B2 Cyclic N-acyl O-amino phenol CBI derivative THE SCRIPPS RESEARCH INSTITUTE (US) 2017-03-07 US disclosed
US-20160016972-A1 Cyclic N-Acyl O-Amino Phenol CBI Derivative NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-21 US disclosed
WO-2014160586-A1 CYCLIC N-ACYL O-AMINO PHENOL CBI DERIVATIVE THE SCRIPPS RESEARCH LINSTITUTE (US) 2014-10-02 WO disclosed
EP-2227087-B1 CBI DERIVATIVES SUBJECT TO REDUCTIVE ACTIVATION SCRIPPS RESEARCH INST (US) 2013-10-09 EP disclosed
US-8377981-B2 CBI derivatives subject to reductive activation THE SCRIPPS RESEARCH INSTITUTE (US) 2013-02-19 US disclosed
US-8377981-B2 CBI derivatives subject to reductive activation THE SCRIPPS RESEARCH INSTITUTE (US) 2013-02-19 US disclosed
US-20110112163-A1 CBI DERIVATIVES SUBJECT TO REDUCTIVE ACTIVATION SCRIPPS RESEARCH INSTITUTE, THE 2011-05-12 US disclosed
US-20110112163-A1 CBI DERIVATIVES SUBJECT TO REDUCTIVE ACTIVATION SCRIPPS RESEARCH INSTITUTE, THE 2011-05-12 US disclosed
WO-2009064913-A1 CHIMER CONTAINING A TARGETING PORTION LINKED TO A SCISSION-ACTIVATED DUOCARMYCIN-TYPE PRODRUG THE SCRIPPS RESEARCH INSTITUTE (US) 2009-05-22 WO disclosed
WO-2009064908-A1 CBI DERIVATIVES SUBJECT TO REDUCTIVE ACTIVATION THE SCRIPPS RESEARCH INSTITUTE (US) 2009-05-22 WO 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 (2 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-20160016972-A1 Cyclic N-Acyl O-Amino Phenol CBI Derivative CCNI, DBI, SUB1 ADH1A 2873/4885KIT 1087/4885FLT1 4774/4885
US-20110112163-A1 CBI DERIVATIVES SUBJECT TO REDUCTIVE ACTIVATION DBI, CCNI, TDO2 ADH1A 1873/4885KIT 1488/4885FLT1 4799/4885

“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.