SCHEMBL16631520

SCHEMBL16631520

Cc1cc2cc(C)c(=O)nc-2[nH]c1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
SLC9A1 P19634 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PIN1 Q13526 3/20 0.36
MAPK1 P28482 1/20 0.35
BRD4 O60885 3/20 0.34
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL16631918 0.85 SLC9A1 (0.35) SMPD3GAAMAPTSLC9A1PIN1
SCHEMBL18080467 0.83 SMPD3 (0.33) SMPD3GAAMAPTSLC9A1KDM4E
SCHEMBL16631519 0.81 TNKS (0.35) GAAMAPTMAPK1BRD4TNKS
SCHEMBL18081931 0.78 TNKS2 (0.34) GAAMAPTMAPK1BRD4TNKS
SCHEMBL18081932 0.77 MAPK1 (0.40) GAAMAPTKDM4EHPGDMAPK1
SCHEMBL18081755 0.77 HPGD (0.36) GAAMAPTHPGDPIN1MAPK1
SCHEMBL18081782 0.76 MAPT (0.41) SMPD3GAAMAPTSLC9A1KDM4E
SCHEMBL16631412 0.74 TNKS2 (0.39) GAAMAPTKDM4EHPGDMAPK1
SCHEMBL18081939 0.73 NPC1 (0.32) SLC9A1KDM4EHPGDHSD17B10PDE3B
SCHEMBL16631934 0.73 SMPD3 (0.36) SMPD3KDM4E

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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 SMPD3 1349/4885GAA 973/4885MAPT 3290/4885

“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.