SCHEMBL17133705

SCHEMBL17133705

CC(C)(C)OC(=O)NCCCCC(N)C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
GAA P10253 3/20 0.52
DRD2 P14416 4/20 0.47
POLB P06746 1/20 0.46
BRD4 O60885 1/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GLA P06280 1/20 0.43
PAX8 Q06710 1/20 0.43
MEN1 O00255 2/20 0.43
SPHK1 Q9NYA1 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL17537309 1.00 CA1 (0.56) CA1CA2GAADRD2POLB
SCHEMBL17133738 0.88 CA1 (0.49) CA1CA2DRD2MAPTKMT2A
SCHEMBL17537311 0.88 CA1 (0.49) CA1CA2DRD2MAPTKMT2A
SCHEMBL2928288 0.86 CTSL (0.48) CA1CA2GAADRD2BRD4
SCHEMBL2931394 0.85 MEN1 (0.52) CA1CA2GAAMAPTKMT2A
SCHEMBL24011136 0.81 GAA (0.58) CA1CA2GAADRD2BRD4
SCHEMBL3584002 0.80 CTSK (0.50) CA1CA2GAAMAPTKMT2A
SCHEMBL2921238 0.80 CTSK (0.50) CA1CA2GAAMAPTKMT2A
SCHEMBL6347286 0.79 GAA (0.72) CA1CA2GAADRD2KMT2A
SCHEMBL14609955 0.78 GAA (0.57) CA1CA2GAADRD2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388123-B2 LSD1-selective inhibitor having lysine structure KYOTO UNIVERSITY (JP) 2016-07-12 US disclosed
US-20160039748-A1 LSD1-SELECTIVE INHIBITOR HAVING LYSINE STRUCTURE KYOTO UNIVERSITY (JP) 2016-02-11 US disclosed
EP-2927212-A1 LSD1-SELECTIVE INHIBITOR HAVING LYSINE STRUCTURE Kyoto University (JP) 2015-10-07 EP 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-20160039748-A1 LSD1-SELECTIVE INHIBITOR HAVING LYSINE STRUCTURE KDM1A, DOT1L, KDM1B CA1 3293/4885CA2 2062/4885GAA 1377/4885

“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.