SCHEMBL10137741

SCHEMBL10137741

CCOC(=O)c1ccccc1NC(=O)C/C(N)=N/O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.64
HSD17B10 Q99714 3/20 0.64
TSHR P16473 3/20 0.60
MAPK10 P53779 1/20 0.60
ALDH1A1 P00352 5/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MAPK1 P28482 1/20 0.58
KDM1A O60341 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 3/20 0.55
HPGD P15428 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL10501732 0.86 KDM4E (0.78) KDM4EHSD17B10TSHRMAPK10ALDH1A1
SCHEMBL14076193 0.83 KDM1A (0.57) KDM4EHSD17B10TSHRMAPK10ALDH1A1
SCHEMBL10137740 0.83 KDM1A (0.71) KDM4EALDH1A1KDM1ASMN1; SMN2LMNA
SCHEMBL10438008 0.83 KDM4E (0.68) KDM4EHSD17B10TSHRMAPK10ALDH1A1
SCHEMBL11575355 0.82 KDM4E (0.72) KDM4EHSD17B10TSHRMAPK10ALDH1A1
SCHEMBL6410314 0.82 KDM4E (0.72) KDM4EHSD17B10TSHRMAPK10ALDH1A1
SCHEMBL14085807 0.82 KDM4E (0.76) KDM4EHSD17B10TSHRMAPK10ALDH1A1
SCHEMBL3644661 0.79 KDM4E (0.63) KDM4EHSD17B10TSHRMAPK10ALDH1A1
SCHEMBL11211443 0.79 KDM4E (0.63) KDM4EHSD17B10TSHRMAPK10ALDH1A1
SCHEMBL6699060 0.79 KDM4E (0.72) KDM4EHSD17B10TSHRMAPK10ALDH1A1

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-9527805-B2 Small molecules as epigenetic modulators of lysine-specific demethylase 1 and methods of treating disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-27 US disclosed
US-20140011857-A1 SMALL MOLECULES AS EPIGENETIC MODULATORS OF LYSINE-SPECIFIC DEMETHYLASE 1 AND METHODS OF TREATING DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2014-01-09 US disclosed
WO-2012034116-A2 SMALL MOLECULES AS EPIGENETIC MODULATORS OF LYSINE-SPECIFIC DEMETHYLASE 1 AND METHODS OF TREATING DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2012-03-15 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-20140011857-A1 SMALL MOLECULES AS EPIGENETIC MODULATORS OF LYSINE-SPECIFIC DEMETHYLASE 1 AND METHODS OF TREATING DISORDERS KDM1B, DOT1L, EHMT1 KDM4E 27/4885HSD17B10 1206/4885TSHR 3978/4885

“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.