SCHEMBL6526431

SCHEMBL6526431

CC(C)(C)CC(C)(C)NC(=O)Nc1cc(Cl)c(O)c(NC(=O)NC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
POLB P06746 6/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.43
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ANO1 Q5XXA6 1/20 0.34
PDGFRB P09619 2/20 0.33
FGFR1 P11362 2/20 0.33

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
SCHEMBL6673594 0.88 MEN1 (0.48) HTTPOLBKMT2AMEN1MAPT
SCHEMBL4341979 0.88 POLB (0.54) HTTPOLBKMT2AMEN1MAPT
SCHEMBL27616627 0.86 POLB (0.43) HTTPOLBKMT2AMEN1MAPT
SCHEMBL27635574 0.85 POLB (0.42) HTTPOLBKMT2AMEN1MAPT
SCHEMBL4341826 0.84 HSPA5 (0.46) HTTPOLBKMT2AMEN1MAPT
SCHEMBL4347487 0.84 EPHX1 (0.56) HTTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL12846470 0.83 POLB (0.40) HTTPOLBKMT2AMEN1MAPT
SCHEMBL12846469 0.83 KMT2A (0.42) HTTPOLBKMT2AMEN1MAPT
SCHEMBL6520461 0.82 POLB (0.40) HTTPOLBKMT2AMEN1MAPT
SCHEMBL4344549 0.82 POLB (0.48) HTTPOLBKMT2AMEN1MAPT

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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US claimed
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN claimed

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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 HTT 3824/4885POLB 3571/4885KMT2A 2096/4885

“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.