SCHEMBL17680252

SCHEMBL17680252

CCNC(=O)CCNC(=O)C(C)(C)Br

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.42
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
MCL1 Q07820 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHX2 P34913 1/20 0.35
CAPN1 P07384 1/20 0.34
HPGD P15428 3/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
CASP2 P42575 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
EPHX1 P07099 1/20 0.32
KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL17683574 0.82 LMNA (0.39) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL22056582 0.79 FAAH (0.41) FAAHKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL649228 0.79 POLB (0.39) KMT2ASMN1; SMN2ALDH1A1MEN1TSHR
SCHEMBL17669630 0.78 ECE1 (0.42) KMT2AL3MBTL1TSHRLMNA
SCHEMBL2149503 0.74 TSHR (0.46) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL22351756 0.74 EPHX1 (0.52) SMN1; SMN2ALDH1A1TSHREPHX1
SCHEMBL4496590 0.73 CNR1 (0.42) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL12424179 0.73 FAAH (0.50) FAAHKMT2AALDH1A1MEN1MCL1
SCHEMBL12673154 0.73 KMT2A (0.58) FAAHKMT2AALDH1A1MEN1MCL1
SCHEMBL19027370 0.72 POLB (0.30)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9539338-B2 Polymer-based protein engineering methods to rationally tune enzyme activity, pH-dependence and stability CARNEGIE MELLON UNIVERSITY (US) 2017-01-10 US disclosed
US-20160101190-A1 POLYMER-BASED PROTEIN ENGINEERING METHODS TO RATIONALLY TUNE ENZYME ACTIVITY, pH-DEPENDENCE AND STABILITY CARNEGIE MELLON UNIVERSITY 2016-04-14 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-20160101190-A1 POLYMER-BASED PROTEIN ENGINEERING METHODS TO RATIONALLY TUNE ENZYME ACTIVITY, pH-DEPENDENCE AND STABILITY DNPEP, PEPD, ANPEP FAAH 350/4885KMT2A 1447/4885SMN1; SMN2 3174/4885

“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.