SCHEMBL1353585

SCHEMBL1353585

COc1ccc(C(N)=O)cc1C(=O)Nc1ccc2ccccc2n1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.73
▸ RAB9A P51151 10/20 0.73
▸ CASP3 P42574 1/20 0.65
▸ SENP7 Q9BQF6 1/20 0.65
▸ SENP6 Q9GZR1 1/20 0.65
▸ MAP3K5 Q99683 1/20 0.54
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ MTOR P42345 1/20 0.51
▸ RXFP1 Q9HBX9 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ SORT1 Q99523 1/20 0.48
▸ PDE10A Q9Y233 1/20 0.47
▸ CYP3A4 P08684 1/20 0.46

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
SCHEMBL1353484 0.80 NPC1 (0.71) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL3770530 0.78 NPC1 (0.71) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL1353347 0.78 KDM4E (0.74) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL3764363 0.77 NPC1 (0.65) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL1353113 0.77 RAB9A (0.64) RAB9AKMT2AMEN1POLBALDH1A1
SCHEMBL1351165 0.77 ALDH1A1 (0.64) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL1351504 0.76 RAB9A (0.67) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL1353994 0.76 RAB9A (0.65) NPC1RAB9AMAP3K5KMT2AMEN1
SCHEMBL15595573 0.76 NPC1 (0.77) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL1353420 0.75 KDM4E (0.56) NPC1RAB9AKMT2AMEN1POLB

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 15 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
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
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 2244/4885CASP3 1122/4885
US-20100179326-A1 BENZAMIDE DERIVATIVE NR0B2, NR1H2, CNR2 NPC1 955/4885RAB9A 2884/4885CASP3 1344/4885

“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.

Send feedback