SCHEMBL20600263

SCHEMBL20600263

COc1ccc(Cn2nc(-c3cccc(C=O)c3)cc2CBr)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ASIC1 P78348 2/20 0.39
HDAC1 Q13547 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
TP53 P04637 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
SCHEMBL22613700 0.90 NPC1 (0.46) NPC1RAB9ATDP1MAPTSMN1; SMN2
SCHEMBL20600304 0.87 NPC1 (0.42) NPC1RAB9ATDP1MAPTSMN1; SMN2
SCHEMBL29915381 0.84 MAPT (0.41) NPC1RAB9ATDP1MAPTSMN1; SMN2
SCHEMBL22613601 0.84 MAPT (0.44) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL20600256 0.83 NPC1 (0.47) NPC1RAB9ATDP1MAPTSMN1; SMN2
SCHEMBL22613626 0.80 PTGDR (0.48) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL13425858 0.78 MEN1 (0.54) NPC1RAB9ATDP1MAPTSMN1; SMN2
SCHEMBL22613635 0.77 SLC16A3 (0.48) NPC1RAB9ATDP1
SCHEMBL6578548 0.76 NR1H3 (0.64) NPC1RAB9ATDP1MAPTSMN1; SMN2
SCHEMBL6581102 0.76 NR1H3 (0.57) NPC1RAB9ATDP1MAPTSMN1; 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 4 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
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 (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 NPC1 2066/4885RAB9A 856/4885TDP1 1777/4885
US-11440922-B2 Heterocyclylmethylidene derivatives and their use as modulators of mGluR5 receptors GRM5, GRIK5, GRM2 NPC1 2066/4885RAB9A 856/4885TDP1 1777/4885

“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.