SCHEMBL7108980

SCHEMBL7108980

O=[N+]([O-])c1ccc(Nc2nc3ccccc3o2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
NPSR1 Q6W5P4 3/20 0.65
ALDH1A1 P00352 2/20 0.65
GAA P10253 1/20 0.65
PKM P14618 1/20 0.65
POLB P06746 2/20 0.62
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
MMP8 P22894 1/20 0.59
MMP13 P45452 1/20 0.59
MAPT P10636 5/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
KDM4E B2RXH2 1/20 0.56
GLA P06280 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL11818974 0.86 NPC1 (0.53) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL26229910 0.85 KMT2A (0.49) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL31532248 0.81 FBP1 (0.57) ALDH1A1GAAPOLBMAPTKMT2A
SCHEMBL25245477 0.81 GSK3B (0.47) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL31532246 0.81 GSK3B (0.47) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL1699105 0.80 MAPT (0.55) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL2658434 0.80 NPC1 (1.00) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL11377716 0.79 NPC1 (0.64) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL11393767 0.79 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL12095537 0.79 RAB9A (0.53) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1

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 NPC1 3722/4885RAB9A 2973/4885SMN1; SMN2 2129/4885
US-20030109714-A1 Transition metal mediated process TPMT, ABAT, TFAM NPC1 3722/4885RAB9A 2973/4885SMN1; SMN2 2129/4885

“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.