SCHEMBL8520766

SCHEMBL8520766

O=Nc1cccc2[nH]c(Cl)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PSMB8 P28062 1/20 0.37
▸ MAPK8 P45983 3/20 0.36
▸ MAPK9 P45984 3/20 0.36
▸ MAPK10 P53779 3/20 0.36
▸ MGAM O43451 3/20 0.34
▸ GAA P10253 3/20 0.34
▸ SI P14410 3/20 0.34
▸ MGAM2 Q2M2H8 3/20 0.34
▸ NUDT1 P36639 1/20 0.34
▸ PARP1 P09874 4/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ MAOB P27338 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33

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
SCHEMBL8520222 0.79 PARP1 (0.53) MAPK8MAPK9MAPK10MGAMGAA
SCHEMBL66295 0.75 PSMB8 (0.59) NPC1RAB9APSMB8MGAMGAA
SCHEMBL13673378 0.75 POLB (0.49) MAPK8MAPK9MAPK10GAAPARP1
SCHEMBL9305483 0.72 RAB9A (0.50) NPC1RAB9APSMB8MGAMGAA
SCHEMBL3973619 0.72 NPC1 (0.50) NPC1RAB9APSMB8MGAMGAA
SCHEMBL3109602 0.72 MGAM (0.60) NPC1RAB9AMGAMGAASI
SCHEMBL8956421 0.72 NPC1 (0.50) NPC1RAB9APSMB8MGAMGAA
SCHEMBL30166992 0.72 NPC1 (0.50) NPC1RAB9APSMB8MGAMGAA
SCHEMBL6118216 0.72 GAA (0.54) NPC1RAB9APSMB8MGAMGAA
SCHEMBL6843925 0.72 NPC1 (0.50) NPC1RAB9APSMB8MGAMGAA

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-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 — — 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-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP3, MMP13 NPC1 3685/4885RAB9A 2419/4885PSMB8 2061/4885

“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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