SCHEMBL21729201

SCHEMBL21729201

COc1cccc(Cc2noc(=O)[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.51
▸ ALPL P05186 3/20 0.49
▸ IDH1 O75874 2/20 0.47
▸ HTR1B P28222 1/20 0.47
▸ CMA1 P23946 1/20 0.47
▸ DAO P14920 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CNR2 P34972 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44

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
SCHEMBL21729202 0.84 PLA2G2A (0.65) PLA2G2ASMN1; SMN2
SCHEMBL9911076 0.84 PLA2G2A (0.48) PLA2G2ADAO
SCHEMBL5580883 0.80 PLA2G2A (0.46) PLA2G2A
SCHEMBL21729183 0.79 DAO (0.46) PLA2G2AIDH1DAO
SCHEMBL11838787 0.78 PLA2G2A (0.54) PLA2G2ADAO
SCHEMBL21157861 0.74 GPR55 (0.48) IDH1HTR1BCMA1DAOSMN1; SMN2
SCHEMBL2099512 0.74 CHRM2 (0.66) HTR1BCMA1MAOB
SCHEMBL31546428 0.74 NOTUM (0.54) PLA2G2ASMN1; SMN2
SCHEMBL13684194 0.72 MEN1 (0.55) —
SCHEMBL21729229 0.72 PLA2G2A (0.45) PLA2G2A

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-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS BREYE THERAPEUTICS APS (DK) 2020-02-20 — — 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-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS P2RY1, P2RX1, P2RX3 PLA2G2A 2693/4885ALPL 4071/4885IDH1 1639/4885

“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.

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