SCHEMBL8085694

SCHEMBL8085694

COc1cccc(NC(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.80
RAB9A P51151 10/20 0.80
KMT2A Q03164 3/20 0.80
MEN1 O00255 2/20 0.80
PLAU P00749 2/20 0.76
RXFP1 Q9HBX9 1/20 0.76
CASP3 P42574 3/20 0.74
SENP7 Q9BQF6 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
ALDH1A1 P00352 2/20 0.74
NLRP3 Q96P20 1/20 0.74
TP53 P04637 1/20 0.74
PKM P14618 1/20 0.74
TRPV1 Q8NER1 1/20 0.71
KCNK3 O14649 1/20 0.70
KCNK9 Q9NPC2 1/20 0.70
SENP8 Q96LD8 1/20 0.66
SENP6 Q9GZR1 1/20 0.66
POLB P06746 1/20 0.65
NQO2 P16083 1/20 0.65

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
SCHEMBL3035716 0.90 PLAU (0.74) NPC1RAB9AKMT2AMEN1PLAU
SCHEMBL10055020 0.88 NPC1 (0.94) NPC1RAB9AKMT2ARXFP1SMN1; SMN2
SCHEMBL1337555 0.88 NPC1 (0.73) NPC1RAB9AKMT2AMEN1PLAU
SCHEMBL4251968 0.86 RXFP1 (0.94) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL30862297 0.86 RXFP1 (0.94) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL1335388 0.86 RAB9A (0.70) NPC1RAB9AKMT2AMEN1PLAU
SCHEMBL3788361 0.85 NPC1 (1.00) NPC1RAB9AKMT2AMEN1PLAU
SCHEMBL29800540 0.85 NPC1 (1.00) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL2176828 0.85 NPC1 (1.00) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL4256368 0.85 NPC1 (1.00) NPC1RAB9AKMT2AMEN1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2018-04-05 US disclosed
US-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2018-04-05 US disclosed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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 (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-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND LDLR, APOB, NR1H2 NPC1 12/4885RAB9A 2917/4885KMT2A 4002/4885
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 NPC1 869/4885RAB9A 733/4885KMT2A 632/4885

“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.