SCHEMBL2590024

SCHEMBL2590024

O=C1N(C(c2ccccc2)c2ccccc2)c2ncccc2C1(Br)Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.38
▸ MARK3 P27448 2/20 0.34
▸ MARK4 Q96L34 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ OPRM1 P35372 2/20 0.33
▸ OPRD1 P41143 2/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ OPRL1 P41146 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MYC P01106 1/20 0.31
▸ MGLL Q99685 2/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30

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
SCHEMBL2583359 0.77 CYP19A1 (0.38) CYP19A1MAPTOPRM1OPRD1OPRK1
SCHEMBL1150372 0.75 EGLN1 (0.42) MARK3KDM4ENPSR1ALDH1A1MGLL
SCHEMBL8687319 0.72 LMNA (0.35) MAPTKDM4ELMNAMEN1ALDH1A1
SCHEMBL2581394 0.69 SCN9A (0.35) MAPTOPRM1OPRD1OPRK1OPRL1
SCHEMBL2587677 0.69 PTPRC (0.42) CYP19A1MAPTKDM4ELMNANPSR1
SCHEMBL8654708 0.69 ALDH1A1 (0.40) MARK3NPSR1ALDH1A1KMT2A
SCHEMBL2342685 0.66 ELANE (0.48) MARK3MAPTKDM4EALDH1A1KAT2B
SCHEMBL9470123 0.64 MARK3 (0.51) MARK3MARK4ALDH1A1SMN1; SMN2SLC6A2
SCHEMBL2579627 0.63 ALDH1A1 (0.42) CYP19A1MAPTKDM4ELMNANPSR1
SCHEMBL23257662 0.61 — —

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-20110269788-A1 SPIRO-OXINDOLE-DERIVATIVES AS SODIUM CHANNEL BLOCKERS XENON PHARMACEUTICALS INC. (CA) 2011-11-03 — — 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-20110269788-A1 SPIRO-OXINDOLE-DERIVATIVES AS SODIUM CHANNEL BLOCKERS SCN3A, SCN1B, SCN2B CYP19A1 2899/4885MARK3 852/4885MARK4 1867/4885

“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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