SCHEMBL513268

SCHEMBL513268

COc1ccc(Cn2nc(CBr)cc2-c2cccs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.42
SLC16A1 P53985 2/20 0.42
MCTS1 Q9ULC4 2/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
PKM P14618 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 4/20 0.40
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL514454 0.88 SLC16A3 (0.45) SLC16A3SLC16A1MCTS1NPC1RAB9A
SCHEMBL22613680 0.78 SLC16A3 (0.51) SLC16A3SLC16A1MCTS1SMN1; SMN2LMNA
SCHEMBL20600034 0.75 MAPK14 (0.45) SLC16A3SLC16A1MCTS1SMN1; SMN2L3MBTL1
SCHEMBL513313 0.75 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2PKMTDP1
SCHEMBL513238 0.75 SMN1; SMN2 (0.41) SLC16A3SLC16A1MCTS1NPC1RAB9A
SCHEMBL513700 0.74 ALDH1A1 (0.36) SLC16A3SLC16A1MCTS1NPC1RAB9A
SCHEMBL20600256 0.74 NPC1 (0.47) SLC16A3SLC16A1MCTS1NPC1RAB9A
SCHEMBL24038948 0.72 MAPT (0.56) SMN1; SMN2TDP1L3MBTL1LMNAMEN1
SCHEMBL27946641 0.71 NR1H4 (0.42) NPC1RAB9ASMN1; SMN2PKMTDP1
SCHEMBL10475753 0.70 NPC1 (0.45) NPC1RAB9ASMN1; SMN2PKMTDP1

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-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.