SCHEMBL19397751

SCHEMBL19397751

CC(C)N[C@@H](C)[C@H](c1ccc(C(=O)OCc2ccccc2)cc1)N(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.58
ALDH1A1 P00352 8/20 0.55
MAPT P10636 7/20 0.55
HPGD P15428 3/20 0.55
KMT2A Q03164 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
LMNA P02545 3/20 0.51
RAB9A P51151 4/20 0.48
GAA P10253 2/20 0.48
CYP3A4 P08684 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 3/20 0.45
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 2/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.42

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
SCHEMBL19402527 0.90 KAT2B (0.60) KAT2BALDH1A1MAPTHPGDKMT2A
SCHEMBL17571735 0.86 ALDH1A1 (0.62) KAT2BALDH1A1MAPTHPGDKMT2A
SCHEMBL19397758 0.84 ALDH1A1 (0.59) KAT2BALDH1A1MAPTHPGDKMT2A
SCHEMBL17571717 0.83 MAPT (0.58) KAT2BALDH1A1MAPTHPGDKMT2A
SCHEMBL19397772 0.81 KAT2B (0.50) KAT2BALDH1A1MAPTHPGDTDP1
SCHEMBL19397761 0.79 KAT2B (0.57) KAT2B
SCHEMBL15614364 0.78 KMT2A (0.69) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL19397740 0.78 KAT2B (0.48) KAT2BALDH1A1MAPTHPGDKMT2A
SCHEMBL9329147 0.76 KMT2A (0.67) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL31455652 0.76 KMT2A (0.61) ALDH1A1MAPTHPGDKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-09-28 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-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF HDAC10, HDAC6, HDAC1 KAT2B 41/4885ALDH1A1 2604/4885MAPT 1601/4885

“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.