SCHEMBL4848799

SCHEMBL4848799

Cn1cc(C(N)=O)cc1[C]=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.38
BRD9 Q9H8M2 1/20 0.38
HTT P42858 1/20 0.36
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
BRPF1 P55201 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP1 P09874 3/20 0.34
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PKM P14618 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
LMNA P02545 1/20 0.33
AR P10275 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 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
SCHEMBL6439758 0.74 BRD4 (0.45) BRD4BRD9HSD17B10KDM4EALDH1A1
SCHEMBL34469515 0.72 BRD4 (0.40) BRD4BRD9HSD17B10KDM4EALDH1A1
SCHEMBL6130558 0.71
SCHEMBL24158944 0.71 CYP2C9 (0.50) BRD4BRD9HSD17B10KDM4EALDH1A1
SCHEMBL18584635 0.69 BRD4 (0.49) BRD4BRD9HSD17B10KDM4EALDH1A1
SCHEMBL20726642 0.69 BRD4 (0.66) BRD4BRD9HSD17B10KDM4EALDH1A1
SCHEMBL4848806 0.69 ATM (0.57) BRD4BRD9HSD17B10KDM4EALDH1A1
Hydrochloric Acid SCHEMBL18584529 0.68 BRD4 (0.47) BRD4BRD9HSD17B10KDM4EALDH1A1
SCHEMBL20448741 0.67
SCHEMBL24158738 0.67 PKM (0.41) BRD4BRD9HSD17B10KDM4EALDH1A1

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 BRD4 154/4885BRD9 1848/4885HTT 2127/4885

“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.