SCHEMBL4418372

SCHEMBL4418372

CCOC(=O)c1cc2c(I)c(N)ccc2n1C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.53
NOD1 Q9Y239 1/20 0.53
ELANE P08246 7/20 0.47
PLA2G2A P14555 1/20 0.43
KMT2A Q03164 5/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.42
SIRT3 Q9NTG7 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AR P10275 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL13598526 0.81 NOD2 (0.57) NOD2NOD1ELANEPLA2G2AKMT2A
SCHEMBL13598532 0.79 NOD2 (0.45) NOD2NOD1ELANEPLA2G2AKMT2A
SCHEMBL4421828 0.78 NOD2 (0.65) NOD2NOD1ELANEPLA2G2AKMT2A
SCHEMBL1999770 0.76 ELANE (0.50) ELANEKMT2AHPGDLMNACYP1A2
SCHEMBL13598517 0.73 NOD2 (0.40) NOD2NOD1ELANEPLA2G2AKMT2A
SCHEMBL4421628 0.72 NOD2 (0.60) NOD2NOD1ELANEKMT2ALMNA
SCHEMBL13598533 0.70 NOD2 (0.43) NOD2NOD1ELANEPLA2G2AKMT2A
SCHEMBL4252587 0.68 ELANE (0.56) NOD2NOD1ELANELMNASIRT3
SCHEMBL4424946 0.67 RAB9A (0.50) KMT2ALMNATSHRMEN1THRB
Hydrochloric Acid SCHEMBL13684574 0.66 MAPT (0.52) KMT2AHPGDLMNACYP1A2TSHR

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.