SCHEMBL514454

SCHEMBL514454

COc1ccc(Cn2nc(CO)cc2-c2cccs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.45
SLC16A1 P53985 2/20 0.45
MCTS1 Q9ULC4 2/20 0.45
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PKM P14618 1/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
FYN P06241 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.39
ERN1 O75460 1/20 0.39

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
SCHEMBL513268 0.88 SLC16A3 (0.42) SLC16A3SLC16A1MCTS1LMNASMN1; SMN2
SCHEMBL513313 0.80 SMN1; SMN2 (0.42) LMNASMN1; SMN2MEN1ESR1KMT2A
SCHEMBL29915428 0.77 SLC16A3 (0.48) SLC16A3SLC16A1MCTS1MAPTCA1
SCHEMBL513238 0.77 SMN1; SMN2 (0.41) SLC16A3SLC16A1MCTS1LMNASMN1; SMN2
SCHEMBL20600270 0.75 MAPK14 (0.47) SLC16A3SLC16A1MCTS1SMN1; SMN2MEN1
SCHEMBL22412857 0.75 MAPT (0.50) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL27946642 0.75 PDE5A (0.43) LMNASMN1; SMN2MEN1ESR1KMT2A
SCHEMBL22613701 0.74 SLC16A3 (0.48) SLC16A3SLC16A1MCTS1LMNASMN1; SMN2
SCHEMBL22613635 0.74 SLC16A3 (0.48) SLC16A3SLC16A1MCTS1NPC1RAB9A
SCHEMBL24038948 0.72 MAPT (0.56) LMNASMN1; SMN2MEN1KMT2APOLB

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
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP disclosed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 SLC16A3 685/4885SLC16A1 753/4885MCTS1 1473/4885

“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.