SCHEMBL13040558

SCHEMBL13040558

CC(=O)NC(=O)CC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C19 P33261 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.41
HPGD P15428 5/20 0.40
RAB9A P51151 2/20 0.40
CYP2C9 P11712 2/20 0.40
EPHX1 P07099 1/20 0.39
CA2 P00918 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PTGS1 P23219 1/20 0.38
MMP12 P39900 1/20 0.38
CRBN Q96SW2 1/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
CA1 P00915 1/20 0.35

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
SCHEMBL2409147 0.86 CYP1A2 (0.50) SMN1; SMN2HTTCYP1A2CYP3A4CYP2C19
SCHEMBL27253773 0.80 CYP1A2 (0.43) SMN1; SMN2HTTCYP1A2CYP3A4CYP2C19
SCHEMBL21032722 0.78 CRBN (0.39) SMN1; SMN2HTTCYP1A2CYP3A4CYP2C19
SCHEMBL3648566 0.77 CYP3A4 (0.44) SMN1; SMN2HTTCYP1A2CYP3A4CYP2C19
SCHEMBL13656082 0.77 CRBN (0.36) HTTEPHX1CA2KDM4EPTGS1
SCHEMBL11270016 0.77 LMNA (0.36) SMN1; SMN2HTTCYP1A2CYP3A4CYP2C19
SCHEMBL14274520 0.75 HTT (0.40) SMN1; SMN2HTTCYP1A2CYP3A4CYP2C19
SCHEMBL1515251 0.75
SCHEMBL14571085 0.74 CRBN (0.47) KMT2ALMNAEPHX1CA2KDM4E
Methylamine SCHEMBL8907491 0.73 SMN1; SMN2 (0.43) SMN1; SMN2HTTCYP1A2CYP3A4CYP2C19

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-8846903-B2 Acyl-urea derivatives and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2014-09-30 US disclosed
US-20100280124-A1 ACYL-UREA DERIVATIVES AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2010-11-04 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-20100280124-A1 ACYL-UREA DERIVATIVES AND USES THEREOF ABAT, HDAC6, ACAT1 SMN1; SMN2 1359/4885HTT 531/4885CYP1A2 959/4885

“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.