SCHEMBL16631448

SCHEMBL16631448

Cc1cc2ccc(C(F)(F)F)[nH]c-2nc1=S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 2/20 0.38
NPBWR1 P48145 1/20 0.38
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 3/20 0.35
PKM P14618 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 3/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
PIN1 Q13526 1/20 0.35
GFER P55789 1/20 0.34
DGAT1 O75907 5/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 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
SCHEMBL16631747 0.81 TNKS (0.40) NPBWR1KDM4ENPC1ALDH1A1PKM
SCHEMBL18080509 0.81 NR1I3 (0.33) NR1I3NPBWR1KDM4EALDH1A1RAB9A
SCHEMBL16631556 0.79 NR1I3 (0.40) NR1I3NPBWR1KDM4ENPC1ALDH1A1
SCHEMBL18081951 0.78 NR1I3 (0.45) NR1I3NPBWR1KDM4ENPC1ALDH1A1
SCHEMBL18081968 0.78 NR1I3 (0.33) NR1I3NPBWR1MAPTTNKSTNKS2
SCHEMBL16631684 0.76 KDM4E (0.33) KDM4EALDH1A1DGAT1
SCHEMBL16631924 0.74 NR1I3 (0.31) NR1I3NPBWR1
SCHEMBL18081962 0.74 NOTUM (0.34) KDM4EALDH1A1DGAT1CYP1A2CYP2C9
SCHEMBL16631493 0.74 DGAT1 (0.39) DGAT1
SCHEMBL16631706 0.71 NR1I3 (0.36) NR1I3NPBWR1KDM4ENPC1ALDH1A1

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 NR1I3 4556/4885NPBWR1 904/4885KDM4E 4689/4885

“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.