SCHEMBL18080481

SCHEMBL18080481

CC(C)c1cc2ccc[nH]c-2nc1=S

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 2/20 0.35
NR1I2 O75469 1/20 0.33
CYP1A2 P05177 1/20 0.33
VDR P11473 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
AHR P35869 1/20 0.33
ALDH1A1 P00352 5/20 0.33
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 3/20 0.32
RXFP1 Q9HBX9 2/20 0.32
POLB P06746 1/20 0.32
HSD17B10 Q99714 3/20 0.31
MPI P34949 2/20 0.31
HPGD P15428 2/20 0.31
ALOX15 P16050 2/20 0.31
ALOX12 P18054 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GFER P55789 1/20 0.31

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
SCHEMBL18080446 0.81 NPC1 (0.32) ALDH1A1MAPTGAAHSD17B10HPGD
SCHEMBL18081957 0.78 NR1I3 (0.41) NR1I3NR1I2CYP1A2VDRCYP2C9
SCHEMBL18080485 0.74 NR1I3 (0.33) NR1I3
SCHEMBL18080500 0.74 NR1I3 (0.41) NR1I3NR1I2CYP1A2VDRCYP2C9
SCHEMBL16631414 0.74 NR1I3 (0.35) NR1I3NR1I2CYP1A2VDRCYP2C9
SCHEMBL18080491 0.73 NR1I3 (0.35) NR1I3NR1I2CYP1A2VDRCYP2C9
SCHEMBL18080484 0.73 DCUN1D1 (0.32) DCUN1D1
SCHEMBL18080486 0.72 DCUN1D1 (0.31) DCUN1D1
SCHEMBL18080534 0.71 TAAR1 (0.36) ALDH1A1MTORADKNISCH
SCHEMBL18080509 0.70 NR1I3 (0.33) NR1I3NR1I2CYP1A2VDRCYP2C9

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 1 patent. 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

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 4556/4885NR1I2 4784/4885CYP1A2 4879/4885

“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.