SCHEMBL20600413

SCHEMBL20600413

COc1ccc(Cn2nc(CP(=O)(O)O)cc2-c2cccc(C)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 3/20 0.41
SLC16A1 P53985 3/20 0.41
MCTS1 Q9ULC4 2/20 0.41
TGFBR1 P36897 1/20 0.41
MAPK14 Q16539 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
AKR1C3 P42330 3/20 0.38
GCGR P47871 1/20 0.37

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
SCHEMBL29915313 0.88 MAPT (0.40) SLC16A3SLC16A1MCTS1TGFBR1MAPK14
SCHEMBL20600270 0.86 MAPK14 (0.47) SLC16A3SLC16A1MCTS1TGFBR1MAPK14
SCHEMBL20600034 0.84 MAPK14 (0.45) SLC16A3SLC16A1MCTS1TGFBR1MAPK14
SCHEMBL22613643 0.83 TGFBR1 (0.41) TGFBR1MAPK14MEN1KMT2ASMN1; SMN2
SCHEMBL22613642 0.81 SLC16A3 (0.49) SLC16A3SLC16A1MCTS1MAPTTP53
SCHEMBL22613695 0.80 SLC16A3 (0.51) SLC16A3SLC16A1MCTS1MAPTLMNA
SCHEMBL20600060 0.78 MAPT (0.52) TGFBR1SMN1; SMN2MAPTTP53
SCHEMBL22613692 0.78 SLC16A3 (0.47) SLC16A3SLC16A1MCTS1MEN1KMT2A
SCHEMBL22613672 0.78 SLC16A3 (0.47) SLC16A3SLC16A1MCTS1MAPTLMNA
SCHEMBL12821745 0.74 SMN1; SMN2 (0.41) TGFBR1MAPK14MEN1KMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200347078-A1 HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) 2020-11-05 US disclosed
EP-3645521-A1 HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS Recordati Industria Chimica E Farmaceutica SPA (IT) 2020-05-06 EP disclosed
WO-2019002571-A1 HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2019-01-03 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-20200347078-A1 HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS GRM5, GRIK5, GRM2 SLC16A3 1146/4885SLC16A1 778/4885MCTS1 4563/4885

“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.