SCHEMBL16296452

SCHEMBL16296452

CC(C=O)(C(N)=O)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BLM P54132 2/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
PGR P06401 1/20 0.42
THRB P10828 1/20 0.42
ADRB3 P13945 1/20 0.42
OPRK1 P41145 1/20 0.42
PMP22 Q01453 1/20 0.42
KCNH2 Q12809 1/20 0.42
PDE3A Q14432 1/20 0.42
SLC47A1 Q96FL8 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41

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
SCHEMBL8283520 0.79 MAPT (0.52) MAPK1SMN1; SMN2L3MBTL1BLMSLC22A2
SCHEMBL28996600 0.77 SMN1; SMN2 (0.48) MAPK1SMN1; SMN2L3MBTL1BLMSLC22A2
SCHEMBL6286789 0.75 SMN1; SMN2 (0.45) MAPK1SMN1; SMN2L3MBTL1BLMSLC22A2
SCHEMBL10492092 0.75 SMN1; SMN2 (0.45) MAPK1SMN1; SMN2L3MBTL1BLMSLC22A2
SCHEMBL2465434 0.75 SMN1; SMN2 (0.50) MAPK1SMN1; SMN2L3MBTL1BLMSLC22A2
SCHEMBL24608559 0.74 SMN1; SMN2 (0.48) MAPK1SMN1; SMN2L3MBTL1BLMTHRB
SCHEMBL18765714 0.73 SMN1; SMN2 (0.44) MAPK1SMN1; SMN2L3MBTL1BLMSLC22A2
SCHEMBL23904553 0.73 L3MBTL1 (0.44) MAPK1SMN1; SMN2L3MBTL1BLMTSHR
SCHEMBL666125 0.73 BLM (0.45) MAPK1SMN1; SMN2L3MBTL1BLMSLC22A2
SCHEMBL18766031 0.73 BLM (0.45) MAPK1SMN1; SMN2L3MBTL1BLMSLC22A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650339-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2017-05-16 US disclosed
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2016-08-18 US disclosed
US-9221801-B2 Inhibitors of histone demethylases EPITHERAPEUTICS APS (DK) 2015-12-29 US disclosed
US-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 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 (2 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-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A MAPK1 3373/4885SMN1; SMN2 2865/4885L3MBTL1 661/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A MAPK1 3373/4885SMN1; SMN2 2865/4885L3MBTL1 661/4885

“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.