SCHEMBL3520542

SCHEMBL3520542

CCOC(=N)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.53
TDP1 Q9NUW8 1/20 0.50
CYP4A11 Q02928 2/20 0.49
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
CYP4F2 P78329 1/20 0.47
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46

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
SCHEMBL5635456 0.86 LOXL2 (0.59) LOXL2TDP1CYP4A11KDM4EMAPK1
Hydrochloric Acid SCHEMBL26962331 0.85 LOXL2 (0.58) LOXL2TDP1CYP4A11KDM4EMAPK1
SCHEMBL28902573 0.83 LOXL2 (0.56) LOXL2TDP1CYP4A11KDM4EMAPK1
SCHEMBL12060088 0.80 TDP1 (0.57) LOXL2TDP1KDM4EMEN1KMT2A
SCHEMBL11291961 0.80 CA1 (0.61) LOXL2TDP1CYP4A11KDM4EMAPK1
Hydrochloric Acid SCHEMBL13835179 0.79 IDO1 (0.44) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL10537396 0.79 CA1 (0.70) TDP1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4444431 0.79 CA1 (0.70) TDP1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2699985 0.78 LOXL2 (0.62) LOXL2TDP1CYP4A11KDM4EMAPK1
SCHEMBL10765170 0.78 CYP4A11 (0.62) LOXL2TDP1CYP4A11KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642253-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US disclosed
US-7642253-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US disclosed
US-7642253-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US disclosed
EP-1896436-A2 HISTONE DEACETYLASE INHIBITORS Takeda San Diego, Inc. (US) 2008-03-12 EP disclosed
US-20060258694-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2006-11-16 US disclosed
WO-2006122319-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-11-16 WO 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-20060258694-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 LOXL2 2883/4885TDP1 1175/4885CYP4A11 3053/4885

“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.