SCHEMBL12673154

SCHEMBL12673154

CCNC(=O)CCNC(=O)CC

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
FAAH O00519 4/20 0.50
CASP2 P42575 1/20 0.43
MCL1 Q07820 1/20 0.41
NAAA Q02083 1/20 0.41
ALDH1A1 P00352 1/20 0.40
EPHX2 P34913 1/20 0.39
RECQL P46063 1/20 0.38

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
SCHEMBL17860105 0.91 KMT2A (0.58) KMT2AMEN1FAAHCASP2MCL1
SCHEMBL25590102 0.86 MEN1 (0.67) KMT2AMEN1FAAHCASP2NAAA
SCHEMBL10173167 0.86 KMT2A (0.58) KMT2AMEN1FAAHCASP2MCL1
SCHEMBL20174142 0.85 MEN1 (0.71) KMT2AMEN1FAAHCASP2NAAA
SCHEMBL95875 0.84
SCHEMBL15482299 0.82 MEN1 (0.54) KMT2AMEN1FAAHCASP2NAAA
SCHEMBL26700020 0.82 FAAH (0.47) KMT2AMEN1FAAHCASP2MCL1
SCHEMBL11333794 0.82
SCHEMBL11336046 0.82
SCHEMBL11333738 0.82

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
WO-2020206137-A1 CDK2/5 DEGRADERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-08 WO disclosed
US-20150314008-A1 AURISTATIN COMPOUNDS AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2015-11-05 US disclosed
US-20120022245-A1 FOLATE TARGETING OF NUCLEOTIDES PURDUE RESEARCH FOUNDATION (US) 2012-01-26 US disclosed
US-7935131-B2 Shape memory polymers UNIVERSITY OF ROCHESTER (US) 2011-05-03 US disclosed
US-20080177303-A1 Shape memory polymers ROCHESTER, UNIVERSITY OF 2008-07-24 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 (2 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-20120022245-A1 FOLATE TARGETING OF NUCLEOTIDES FOLR1, FOLR2, DHFR KMT2A 1861/4885MEN1 3080/4885FAAH 2677/4885
US-20150314008-A1 AURISTATIN COMPOUNDS AND CONJUGATES THEREOF PBRM1, BRWD1, BRDT KMT2A 1344/4885MEN1 2807/4885FAAH 3977/4885

“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.