SCHEMBL22613635

SCHEMBL22613635

COc1ccc(Cn2nc(CO)cc2-c2cccc(C=O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 14/20 0.48
SLC16A1 P53985 14/20 0.48
MCTS1 Q9ULC4 7/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
DYRK3 O43781 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
CDK5 Q00535 1/20 0.41
DYRK1A Q13627 1/20 0.41
CDK5R1 Q15078 1/20 0.41
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41

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
SCHEMBL20600256 0.89 NPC1 (0.47) SLC16A3SLC16A1MCTS1NPC1RAB9A
SCHEMBL22613672 0.87 SLC16A3 (0.47) SLC16A3SLC16A1MCTS1NPC1RAB9A
SCHEMBL29915428 0.84 SLC16A3 (0.48) SLC16A3SLC16A1MCTS1CA1CA2
SCHEMBL29915303 0.83 NPC1 (0.42) SLC16A3SLC16A1MCTS1NPC1RAB9A
SCHEMBL22613700 0.83 NPC1 (0.46) NPC1RAB9ATDP1
SCHEMBL22613701 0.81 SLC16A3 (0.48) SLC16A3SLC16A1MCTS1CA1CA2
SCHEMBL6578548 0.77 NR1H3 (0.64) NPC1RAB9ATDP1
SCHEMBL20600263 0.77 NPC1 (0.46) NPC1RAB9ATDP1
SCHEMBL6581102 0.77 NR1H3 (0.57) NPC1RAB9ATDP1
SCHEMBL22613695 0.76 SLC16A3 (0.51) SLC16A3SLC16A1MCTS1

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-11440922-B2 Heterocyclylmethylidene derivatives and their use as modulators of mGluR5 receptors Recordati Industria Chimica e Farmacentica S.p.A. (IT) 2022-09-13 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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
US-11440922-B2 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.