SCHEMBL7108873

SCHEMBL7108873

COc1ccc(Nc2nc3ccccc3o2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.69
NPC1 O15118 4/20 0.69
RAB9A P51151 4/20 0.69
NPSR1 Q6W5P4 2/20 0.69
PKM P14618 2/20 0.69
ALDH1A1 P00352 1/20 0.69
GAA P10253 1/20 0.69
KMT2A Q03164 4/20 0.68
MAPT P10636 4/20 0.68
MEN1 O00255 3/20 0.68
PDE10A Q9Y233 1/20 0.58
FAAH O00519 1/20 0.54
KDM1A O60341 1/20 0.54
POLB P06746 1/20 0.54
RAD52 P43351 1/20 0.54
GFER P55789 1/20 0.54
RPS6KA2 Q15349 1/20 0.52
NPY5R Q15761 1/20 0.51

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
SCHEMBL3955874 0.84 RAB9A (0.64) SMN1; SMN2NPC1RAB9ANPSR1PKM
SCHEMBL5851841 0.83 NPC1 (0.75) SMN1; SMN2NPC1RAB9ANPSR1PKM
SCHEMBL2658434 0.82 NPC1 (1.00) SMN1; SMN2NPC1RAB9ANPSR1PKM
SCHEMBL12749660 0.81 MEN1 (0.62) SMN1; SMN2NPC1RAB9ANPSR1PKM
SCHEMBL5395363 0.81 PDE10A (0.68) SMN1; SMN2NPC1RAB9ANPSR1PKM
SCHEMBL14867043 0.80 SMN1; SMN2 (0.63) SMN1; SMN2RAB9ANPSR1ALDH1A1GAA
SCHEMBL3452939 0.80 ELANE (0.74) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL3314924 0.80 PDE10A (0.71) SMN1; SMN2NPC1RAB9ANPSR1PKM
SCHEMBL1752742 0.80 NPC1 (0.75) SMN1; SMN2NPC1RAB9ANPSR1PKM
SCHEMBL5851837 0.80 NPC1 (0.75) SMN1; SMN2NPC1RAB9ANPSR1PKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030109714-A1 Transition metal mediated process ABBOTT GMBH & CO. KG (DE) 2003-06-12 US disclosed
US-20030009034-A1 Transition metal mediated process ABBOTT GMBH & CO. KG (DE) 2003-01-09 US disclosed
WO-2002076960-A1 TRANSITION METAL MEDIATED PROCESS ABBOTT GMBH & CO. KG (DE) 2002-10-03 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-20030009034-A1 Transition metal mediated process TPMT, ABAT, TFAM SMN1; SMN2 2129/4885NPC1 3722/4885RAB9A 2973/4885
US-20030109714-A1 Transition metal mediated process TPMT, ABAT, TFAM SMN1; SMN2 2129/4885NPC1 3722/4885RAB9A 2973/4885

“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.