SCHEMBL4860925

SCHEMBL4860925

O=CNc1cc[nH]c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.43
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.33
PTPRC P08575 2/20 0.32
PTPN2 P17706 2/20 0.32
PTPN1 P18031 2/20 0.32
PTPRB P23467 2/20 0.32
PTPRE P23469 2/20 0.32
PTPN6 P29350 2/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
ENPP2 Q13822 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KEAP1 Q14145 1/20 0.31
CNR2 P34972 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL9941261 0.76 KDM4C (0.39) ALDH1A1TSHRPTPRCPTPN2PTPN1
SCHEMBL25892876 0.75 KMT2A (0.43) ALDH1A1TSHRKDM4EHPGD
SCHEMBL5693459 0.70 KDM5A (0.41) KDM5A
SCHEMBL1491964 0.69 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDENPP2HSD17B10
SCHEMBL5519861 0.69 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL27708741 0.68 KDM6B (0.48) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL69690 0.68 KEAP1 (0.47) ALDH1A1TSHRPTPRCPTPN2PTPN1
SCHEMBL27689196 0.67 KDM6B (0.49) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL3953211 0.66 MLYCD (0.34) ALDH1A1HPGDHSD17B10
SCHEMBL5173312 0.66

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-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

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 KDM5A 1581/4885ALDH1A1 2902/4885TSHR 4221/4885

“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.