SCHEMBL18081978

SCHEMBL18081978

Cc1cc(=O)c2cn(C)c(=S)nc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.49
ADORA2A P29274 3/20 0.49
CYP1A2 P05177 2/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 5/20 0.36
HPGD P15428 6/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
LPO P22079 1/20 0.33
PTGS1 P23219 1/20 0.33
DOT1L Q8TEK3 1/20 0.33
MAPT P10636 1/20 0.33
ESR1 P03372 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL16631773 0.84 ADORA1 (0.51) ADORA1ADORA2ACYP1A2GAAALDH1A1
SCHEMBL18080587 0.81 ADORA1 (0.46) ADORA1ADORA2ACYP1A2GAAALDH1A1
SCHEMBL18081930 0.79 JAK1 (0.39) CYP1A2GAAALDH1A1HPGDKDM4E
SCHEMBL18081933 0.76 KDM4E (0.40) GAAALDH1A1HPGDKDM4EHTT
SCHEMBL18081980 0.75 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL18081920 0.74 NPC1 (0.32) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL18081928 0.73 ADORA2A (0.50) ADORA1ADORA2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL18081963 0.73
SCHEMBL18081773 0.73 KDM4E (0.37) KDM4E
SCHEMBL18081824 0.73

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 ADORA1 1601/4885ADORA2A 619/4885CYP1A2 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.