SCHEMBL16631775

SCHEMBL16631775

COC(=O)c1cc2ccc[nH]c-2nc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
AXL P30530 1/20 0.42
CDK8 P49336 1/20 0.41
NR4A2 P43354 4/20 0.41
ERCC1 P07992 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
MAPT P10636 1/20 0.39
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
PLA2G2A P14555 1/20 0.39
MAP2K1 Q02750 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38

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
SCHEMBL16631766 0.81 NAPRT (0.49) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL18081960 0.74 RAB9A (0.40) KDM4EALDH1A1MAPTGAA
SCHEMBL16631462 0.72 SMN1; SMN2 (0.36) KDM4EALDH1A1MAPTGAAGABRA1
SCHEMBL16631769 0.71 DCUN1D1 (0.33) ALDH1A1MAPTGAAHPGD
SCHEMBL680683 0.71 NAPRT (0.60) KDM4EALDH1A1NR4A2MAPTGAA
SCHEMBL14740138 0.70 BRD4 (0.43) KDM4EALDH1A1CDK8MAPTHPGD
SCHEMBL27949967 0.70 CDK8 (0.55) AXLCDK8GABRG2GABRB3GABRA3
Hydrochloric Acid SCHEMBL4428793 0.69 NAPRT (0.58) KDM4EALDH1A1NR4A2MAPTGAA
SCHEMBL3062520 0.69 KDM4E (0.70) KDM4EALDH1A1AXLCDK8GABRG2
SCHEMBL1759020 0.68 MCL1 (0.43) KDM4EALDH1A1MAPTGAAHPGD

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 KDM4E 4689/4885ALDH1A1 4189/4885AXL 2621/4885

“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.