SCHEMBL169802

SCHEMBL169802

CCCNC(=O)CC(=O)NC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.50
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX1 P07099 1/20 0.41
CASP2 P42575 1/20 0.40
CNR1 P21554 1/20 0.39
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
NAAA Q02083 1/20 0.38
CTSD P07339 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ECE1 P42892 1/20 0.37
FAAH O00519 2/20 0.36

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
SCHEMBL7680026 0.89 MCL1 (0.58) MCL1MMP1MMP2MMP3MMP9
SCHEMBL19703871 0.84 CASP2 (0.61) MEN1KMT2AEPHX1CASP2NAAA
SCHEMBL17740222 0.83 CASP2 (0.48) MCL1MMP1MMP2MMP3MMP9
SCHEMBL2607955 0.79 CNR1 (0.51) MCL1MEN1KMT2AEPHX1CASP2
SCHEMBL4404972 0.79 MCL1 (0.46) MCL1MMP1MMP2MMP3MMP9
SCHEMBL12082035 0.78 MCL1 (0.48) MCL1MMP1MMP2MMP3MMP9
Dimethylamine SCHEMBL6391439 0.78 MCL1 (0.48) MCL1MMP1MMP2MMP3MMP9
SCHEMBL8413257 0.78 HDAC3 (0.48) MCL1MEN1KMT2ACASP2LMNA
SCHEMBL5569193 0.78 MCL1 (0.44) MCL1MMP1MMP2MMP3MMP9
SCHEMBL2106440 0.78

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-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-12-14 US disclosed
US-8912148-B2 Methods of treating a disease or condition associated with abnormal angiogenesis COVX TECHNOLOGY IRELAND, LTD. (IE) 2014-12-16 US disclosed
EP-2426108-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MethylGene Inc. (CA) 2012-03-07 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-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT MCL1 674/4885MMP1 2260/4885MMP2 475/4885

“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.