SCHEMBL1353243

SCHEMBL1353243

COc1ccc(C(N)=O)cc1C(=O)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.72
RAB9A P51151 15/20 0.69
TP53 P04637 9/20 0.69
SMN1; SMN2 Q16637 8/20 0.69
MAPT P10636 7/20 0.69
TSHR P16473 5/20 0.69
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
ALDH1A1 P00352 3/20 0.63
PKM P14618 3/20 0.63
NPSR1 Q6W5P4 1/20 0.62
HSD17B10 Q99714 1/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
GAA P10253 1/20 0.62
CASP1 P29466 1/20 0.62
MAPK1 P28482 1/20 0.61
POLB P06746 1/20 0.61
MAOB P27338 1/20 0.59

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
SCHEMBL1353390 0.80 HDAC8 (0.62) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL1353434 0.80 HDAC8 (0.55) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL1351280 0.78 POLB (0.70) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1353976 0.78 HDAC8 (0.77) NPC1RAB9ATP53MAPTTSHR
SCHEMBL1354171 0.78 NPC1 (0.59) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL1353484 0.78 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL14825083 0.78 NPC1 (0.74) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL20636621 0.78 NPC1 (0.66) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL5338102 0.78 NPC1 (0.66) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL1352849 0.77 PLAU (0.69) NPC1RAB9ATP53SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063046-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-22 US disclosed
US-8063046-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-22 US disclosed
EP-1698618-B1 BENZAMIDE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-05-18 EP disclosed
EP-1698618-B1 BENZAMIDE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-05-18 EP disclosed
US-20100179326-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-15 US disclosed
US-20100179326-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-15 US disclosed
US-20100179326-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-15 US disclosed
US-7705053-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-04-27 US disclosed
US-7705053-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-04-27 US disclosed
US-7705053-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-04-27 US disclosed
US-20070123493-A1 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-31 US disclosed
US-20070123493-A1 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-31 US disclosed
EP-1698618-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-09-06 EP 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-20070123493-A1 Benzamide derivative BDKRB1, BDKRB2, NR1H2 NPC1 540/4885RAB9A 2244/4885TP53 2926/4885
US-20100179326-A1 BENZAMIDE DERIVATIVE NR0B2, NR1H2, CNR2 NPC1 955/4885RAB9A 2884/4885TP53 3139/4885

“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.