SCHEMBL16631382

SCHEMBL16631382

Cc1cc(C(F)(F)F)[nH]c2nc(=O)c(C)cc1-2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
RAD51 Q06609 1/20 0.35
DGAT1 O75907 9/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL18081918 0.89 NOTUM (0.35) NOTUMKDM4EALDH1A1HPGDCYP1A2
SCHEMBL18080474 0.84 DGAT1 (0.33) NOTUMKDM4EALDH1A1HPGDCYP1A2
SCHEMBL16631684 0.81 KDM4E (0.33) NOTUMKDM4EALDH1A1DGAT1
SCHEMBL18081781 0.78 FGFR1 (0.33) KDM4EHPGDHSD17B10
SCHEMBL16631413 0.78 MAPT (0.35) KDM4EALDH1A1HPGDHTTKMT2A
SCHEMBL16631747 0.76 TNKS (0.40) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL18081917 0.76 PDE3B (0.35)
SCHEMBL16631455 0.75 PDE3B (0.35)
SCHEMBL18081810 0.75 DGAT1 (0.42) DGAT1
SCHEMBL18081783 0.74 PDE3B (0.34)

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 NOTUM 3141/4885KDM4E 4689/4885ALDH1A1 4189/4885

“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.