SCHEMBL22613680

SCHEMBL22613680

COc1ccc(Cn2nc(CBr)cc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 5/20 0.51
SLC16A1 P53985 4/20 0.51
MCTS1 Q9ULC4 3/20 0.51
NPBWR1 P48145 1/20 0.46
PTGS2 P35354 3/20 0.46
ALOX5 P09917 1/20 0.46
PTGS1 P23219 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HIF1A Q16665 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CCKAR P32238 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL9349968 0.83 PTGS2 (0.64) PTGS2ALOX5PTGS1CYP1A2CYP3A4
SCHEMBL513268 0.78 SLC16A3 (0.42) SLC16A3SLC16A1MCTS1TSHRSMN1; SMN2
SCHEMBL20600256 0.77 NPC1 (0.47) SLC16A3SLC16A1MCTS1NPSR1SMN1; SMN2
SCHEMBL20600034 0.77 MAPK14 (0.45) SLC16A3SLC16A1MCTS1CYP1A2CYP3A4
SCHEMBL2226540 0.74 SLC16A3 (0.56) SLC16A3SLC16A1MCTS1SMN1; SMN2KDM4E
SCHEMBL29915428 0.73 SLC16A3 (0.48) SLC16A3SLC16A1MCTS1CCKARTP53
SCHEMBL31130342 0.73 SLC16A3 (0.65) SLC16A3SLC16A1MCTS1
SCHEMBL6607342 0.71 CYP1A2 (0.43) NPBWR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7995817 0.71 MAPT (0.63) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL23297331 0.71 MAPT (0.72) NPBWR1TSHRSMN1; SMN2KDM4ETP53

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.