SCHEMBL16631395

SCHEMBL16631395

Cc1cc2ccc(=O)[nH]c2[nH]c1=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.42
CA9 Q16790 5/20 0.42
ADORA1 P30542 1/20 0.41
CA1 P00915 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
LPO P22079 1/20 0.34
PTGS1 P23219 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F11 P03951 1/20 0.34
BRD4 O60885 1/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
MAPT P10636 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
SCHEMBL16631524 0.81 BRD4 (0.48) CA12CA9ADORA1CA1CA3
SCHEMBL18080520 0.77 CHEK1 (0.39) CA12CA9ADORA1CA1CA3
SCHEMBL14754138 0.76 ADORA1 (0.60) CA12CA9ADORA1CA1CA3
SCHEMBL4297133 0.72 CA12 (0.50) CA12CA9ADORA1CA1CA3
SCHEMBL18081778 0.71 BRD4 (0.33) BRD4TP53
SCHEMBL2947571 0.68 CA12 (0.62) CA12CA9CA1CA3CA4
SCHEMBL15829225 0.68 ADORA1 (0.42) CA12CA9ADORA1CA1CA3
SCHEMBL20801867 0.68 CA12 (0.39) CA12CA9ADORA1CA1CA3
SCHEMBL18080519 0.66 BTK (0.45) CA12CA9ADORA1CA1CA3
SCHEMBL1423460 0.64 ALOX15 (0.59) SMN1; SMN2MAPTALDH1A1

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 CA12 4531/4885CA9 4648/4885ADORA1 1601/4885

“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.