SCHEMBL4421828

SCHEMBL4421828

CCOC(=O)c1cc2cc(N)ccc2n1C(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 2/20 0.65
NOD1 Q9Y239 2/20 0.65
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
ELANE P08246 7/20 0.47
HPGD P15428 1/20 0.46
SIRT3 Q9NTG7 1/20 0.44
F10 P00742 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAOA P21397 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
PTGS2 P35354 1/20 0.41
PLA2G2A P14555 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL4421628 0.82 NOD2 (0.60) NOD2NOD1KMT2AMEN1ELANE
SCHEMBL6019148 0.81 ALDH1A1 (0.50) NOD2NOD1KMT2AMEN1HPGD
SCHEMBL3023843 0.79 NOD2 (0.45) NOD2NOD1KMT2AMEN1ELANE
SCHEMBL1173839 0.78 MAPT (0.52) NOD2NOD1KMT2AMEN1HPGD
SCHEMBL17323111 0.78 LMNA (0.47) NOD2NOD1KMT2AMEN1ELANE
SCHEMBL4418372 0.78 NOD2 (0.53) NOD2NOD1KMT2AMEN1ELANE
SCHEMBL4194183 0.77 NOD2 (0.50) NOD2NOD1KMT2AMEN1ELANE
SCHEMBL13598526 0.77 NOD2 (0.57) NOD2NOD1KMT2AMEN1ELANE
SCHEMBL23045603 0.75 KDM4E (0.52) NOD2NOD1KMT2AMEN1F10
SCHEMBL31383475 0.75 ATM (0.44) NOD2NOD1KMT2AMEN1ELANE

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 718/4885KMT2A 2553/4885

“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.