SCHEMBL10279987

SCHEMBL10279987

COc1ccc(O)c(NC(=O)C(C)N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
TRPM8 Q7Z2W7 1/20 0.51
HSP90AA1 P07900 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
F10 P00742 1/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44
HDAC1 Q13547 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
MCL1 Q07820 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 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
Hydrochloric Acid SCHEMBL1390816 0.98 IDO1 (0.51) IDO1TRPM8HSP90AA1MEN1KMT2A
Hydrochloric Acid SCHEMBL1390814 0.98 IDO1 (0.51) IDO1TRPM8HSP90AA1MEN1KMT2A
SCHEMBL7923279 0.88 IDO1 (0.52) IDO1TRPM8HSP90AA1MEN1KMT2A
SCHEMBL10359687 0.82 HTT (0.62) HSP90AA1MEN1KMT2AHTTL3MBTL1
SCHEMBL1391102 0.81 MEN1 (0.50) HSP90AA1MEN1KMT2AHTTL3MBTL1
SCHEMBL15157686 0.81 MEN1 (0.50) HSP90AA1MEN1KMT2AHTTL3MBTL1
SCHEMBL7926073 0.81 KDM4E (0.57) IDO1MEN1KMT2AHTTMAPT
SCHEMBL10239349 0.80 GAA (0.60) IDO1MEN1KMT2AHTTMAPT
Hydrochloric Acid SCHEMBL1391475 0.79 KDM4E (0.56) IDO1MEN1KMT2AHTTMAPT
Hydrochloric Acid SCHEMBL1391474 0.79 KDM4E (0.56) IDO1MEN1KMT2AHTTMAPT

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-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB IDO1 3201/4885TRPM8 4322/4885HSP90AA1 951/4885

“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.