SCHEMBL4421628

SCHEMBL4421628

CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2n1C(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 2/20 0.60
NOD1 Q9Y239 2/20 0.60
ELANE P08246 6/20 0.60
AR P10275 3/20 0.56
F2 P00734 4/20 0.50
PLAU P00749 4/20 0.50
CTRB1 P17538 4/20 0.50
MAPT P10636 2/20 0.49
KLKB1 P03952 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
NPC1 O15118 1/20 0.44
NPBWR1 P48145 1/20 0.44
RAB9A P51151 1/20 0.44
MCHR1 Q99705 1/20 0.44

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
SCHEMBL3638008 0.88 NOD2 (0.53) NOD2NOD1ELANEARF2
SCHEMBL6019391 0.82 NOD2 (0.55) NOD2NOD1ELANEARF2
SCHEMBL4421828 0.82 NOD2 (0.65) NOD2NOD1ELANEKMT2AMEN1
SCHEMBL3023818 0.80 NOD2 (0.48) NOD2NOD1ELANEF2PLAU
SCHEMBL17060318 0.80 NOD2 (0.60) NOD2NOD1ELANEARMAPT
SCHEMBL31383537 0.80 MAPT (0.59) NOD2NOD1ELANEARF2
SCHEMBL4203356 0.80 MAPT (0.59) NOD2NOD1ELANEARF2
SCHEMBL3638010 0.79 CCR2 (0.50) NOD2NOD1ELANEMAPTKMT2A
SCHEMBL4196083 0.79 NOD2 (0.54) NOD2NOD1ELANEF2PLAU
SCHEMBL15908736 0.79 MAPT (0.55) NOD2NOD1ELANEARF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7626026-B2 Pyrrolo-indole and pyrrolo-quinoline derivatives as prodrugs for tumour treatment UNIVERSITY OF BRADFORD (GB) 2009-12-01 US disclosed
EP-1409480-B1 PYRROLO-INDOLE AND PYRROLO-QUINOLINE DERIVATIVES AS PRODRUGS FOR TUMOUR TREATMENT UNIV LONDON PHARMACY (GB) 2007-11-14 EP disclosed
US-20040157873-A1 Pyrrolo-indole and pyrrolo-quinoline derivatives as prodrugs for tumour treatment INCANTHERA LIMITED (GB) 2004-08-12 US disclosed
EP-1409480-A1 PYRROLO-INDOLE AND PYRROLO-QUINOLINE DERIVATIVES AS PRODRUGS FOR TUMOUR TREATMENT THE SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2004-04-21 EP disclosed
WO-2002068412-A1 PYRROLO-INDOLE AND PYRROLO-QUINOLINE DERIVATIVES AS PRODRUGS FOR TUMOUR TREATMENT SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2002-09-06 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 (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-20040157873-A1 Pyrrolo-indole and pyrrolo-quinoline derivatives as prodrugs for tumour treatment CYP1B1, TOP1, CYP1A1 NOD2 1847/4885NOD1 718/4885ELANE 4264/4885

“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.