SCHEMBL4850168

SCHEMBL4850168

Cn1cc(NC=O)cc1C(=O)Cl

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRAS P01112 1/20 0.49
ESR1 P03372 1/20 0.49
TOP1 P11387 1/20 0.49
ESR2 Q92731 1/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
HIF1A Q16665 1/20 0.48
HDAC8 Q9BY41 3/20 0.36
AR P10275 2/20 0.35
HDAC10 Q969S8 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL4855585 0.84 HRAS (0.50) HRASESR1TOP1ESR2KDM4E
SCHEMBL14002833 0.81 TOP1 (0.54) HRASESR1TOP1ESR2KDM4E
SCHEMBL6576431 0.77 AR (0.39) HRASESR1TOP1ESR2KDM4E
SCHEMBL5748174 0.76 TOP1 (0.62) HRASESR1TOP1ESR2KDM4E
SCHEMBL5745871 0.76 TOP1 (0.62) HRASESR1TOP1ESR2KDM4E
SCHEMBL14002822 0.76 TOP1 (0.62) HRASESR1TOP1ESR2KDM4E
SCHEMBL5749627 0.76 TOP1 (0.62) HRASESR1TOP1ESR2KDM4E
SCHEMBL5746639 0.75 HRAS (0.68) HRASESR1TOP1ESR2KDM4E
SCHEMBL5746729 0.75 HRAS (0.65) HRASESR1TOP1ESR2KDM4E
SCHEMBL5746730 0.75 HRAS (0.68) HRASESR1TOP1ESR2KDM4E

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 16 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 claimed
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 claimed
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 claimed
EP-1641753-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) 2006-04-05 EP claimed
WO-2004106301-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) 2004-12-09 WO claimed
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-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-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-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
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
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
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
EP-1641753-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) 2006-04-05 EP disclosed
WO-2004106301-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) 2004-12-09 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-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 4748/4885TOP1 601/4885

“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.