SCHEMBL4858229

SCHEMBL4858229

Cn1cc(N)cc1C(=O)NCCC#N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.41
HRAS P01112 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HIF1A Q16665 1/20 0.40
PKM P14618 2/20 0.38
USP4 Q13107 1/20 0.37
USP7 Q93009 1/20 0.37
PRKD1 Q15139 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
THRB P10828 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
Hydrochloric Acid SCHEMBL4860217 0.99 MAPT (0.42) TOP1HRASESR1ESR2MAPT
SCHEMBL8917157 0.91 HRAS (0.54) TOP1HRASESR1ESR2MAPT
SCHEMBL7328867 0.91 HRAS (0.54) TOP1HRASESR1ESR2MAPT
Hydrochloric Acid SCHEMBL6180839 0.90 KDM4E (0.54) TOP1HRASESR1ESR2MAPT
SCHEMBL4858107 0.86 PKM (0.39) TOP1HRASESR1ESR2MAPT
SCHEMBL18773492 0.82 TOP1 (0.41) TOP1HRASESR1ESR2MAPT
SCHEMBL10110891 0.79 SMN1; SMN2 (0.46) TOP1HRASESR1ESR2MAPT
SCHEMBL25856520 0.79 TOP1 (0.40) TOP1HRASESR1ESR2MAPT
SCHEMBL26643295 0.79 MAPT (0.36) TOP1HRASESR1ESR2MAPT
SCHEMBL13682469 0.78 PKM (0.41) TOP1HRASESR1ESR2MAPT

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 7 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
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
EP-0722446-B1 DISTAMYCIN A ANALOGUES AS ANTITUMOUR OR ANTIVIRAL AGENTS PHARMACIA ITALIA SPA (IT) 2002-12-11 EP disclosed
US-5753629-A AMINO ACID DERIVATIVE ANTIBIOTICS; VIRICIDES PHARMACIA S.P.A. (IT) 1998-05-19 US 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 TOP1 601/4885HRAS 3606/4885ESR1 4748/4885

“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.