SCHEMBL4857581

SCHEMBL4857581

Cn1cc(NC=O)cc1NC(=O)c1cc(C(=O)NCCC(=N)N)n(C)c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRAS P01112 14/20 0.74
ESR1 P03372 13/20 0.74
ESR2 Q92731 13/20 0.74
TOP1 P11387 2/20 0.74
KDM4E B2RXH2 1/20 0.73
POLB P06746 1/20 0.73
MAPT P10636 1/20 0.73
HIF1A Q16665 1/20 0.73
PKM P14618 2/20 0.36
USP4 Q13107 1/20 0.33
USP7 Q93009 1/20 0.33
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31

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
SCHEMBL9713948 0.99 HRAS (0.73) HRASESR1ESR2TOP1KDM4E
SCHEMBL9714123 0.96 HRAS (0.81) HRASESR1ESR2TOP1KDM4E
SCHEMBL14573087 0.86 HRAS (0.55) HRASESR1ESR2TOP1KDM4E
SCHEMBL14002814 0.85 HRAS (1.00) HRASESR1ESR2TOP1KDM4E
Stallimycin SCHEMBL108585 0.85 HRAS (1.00) HRASESR1ESR2TOP1KDM4E
SCHEMBL4852635 0.84 HRAS (0.53) HRASESR1ESR2TOP1KDM4E
Stallimycin SCHEMBL193003 0.84 KDM4E (1.00) HRASESR1ESR2TOP1KDM4E
SCHEMBL7125320 0.76 HRAS (0.83) HRASESR1ESR2TOP1KDM4E
SCHEMBL22590340 0.76 HRAS (0.80) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL29375648 0.76 KDM4E (0.82) HRASESR1ESR2TOP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449547-B2 Process for the synthesis of distamycin and derivatives thereof using 1-methyl-4-formylamino-2-pyrrolecarbonyl chloride iteratively as an intermediate NAXOPHARMA S.R.L. (IT) 2008-11-11 US disclosed
US-20070060523-A1 Process for the synthesis of distamycin and derivatives thereof using 1-methyl-4-formylamino-2-pyrrolecarbonyl chloride iteratively as an intermediate NAXOSPHARMA S.R.L. (IT) 2007-03-15 US disclosed
EP-1641753-B1 PROCESS FOR THE SYNTHESIS OF DISTAMYCIN AND DERIVATIVES THEREOF USING 1-METHYL-4-FORMYLAMINO-2-PYRROLECARBONYL CHLORIDE ITERATIVELY AS AN INTERMEDIATE NAXOSPHARMA S R L (IT) 2006-10-18 EP 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-20070060523-A1 Process for the synthesis of distamycin and derivatives thereof using 1-methyl-4-formylamino-2-pyrrolecarbonyl chloride iteratively as an intermediate DHPS, PCBP1, MRPL21 HRAS 3606/4885ESR1 4748/4885ESR2 4665/4885

“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.