SCHEMBL3811403

SCHEMBL3811403

Nc1ccccc1NC(=O)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
HDAC3 O15379 5/20 0.66
HDAC1 Q13547 4/20 0.66
HDAC2 Q92769 4/20 0.66
NCOR2 Q9Y618 2/20 0.57
POLB P06746 1/20 0.55
CASP3 P42574 1/20 0.54
PLAU P00749 1/20 0.54
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
MGLL Q99685 1/20 0.52
MAOB P27338 2/20 0.52
MAPK1 P28482 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
PTPN1 P18031 1/20 0.51
KDM1A O60341 2/20 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
SCHEMBL3789191 0.88 NPC1 (0.61) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL3784499 0.87 NPC1 (0.59) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL3789479 0.86 CASP3 (0.60) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL3792921 0.84 NPC1 (0.57) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL3230293 0.84 NPC1 (0.59) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL3781356 0.83 NPC1 (0.56) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL3793285 0.83 MGLL (0.63) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL3784629 0.83 HDAC1 (0.72) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL9414189 0.82 CTSK (0.55) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL9414187 0.82 CTSK (0.55) NPC1RAB9AHDAC3HDAC1HDAC2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975878-B2 Substituted triazine BMI-1 inhibitors PTC THERAPEUTICS, INC. (US) 2018-05-22 US disclosed
US-9975878-B2 Substituted triazine BMI-1 inhibitors PTC THERAPEUTICS, INC. (US) 2018-05-22 US disclosed
EP-2594555-B1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA PHARM CO LTD (JP) 2018-03-07 EP disclosed
WO-2017004522-A1 HISTONE DEACETYLASE INHIBTORS BIOMARIN PHARMACEUTICAL INC. (US) 2017-01-05 WO disclosed
US-20160297798-A1 SUBSTITUTED TRIAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-10-13 US disclosed
US-20160297798-A1 SUBSTITUTED TRIAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-10-13 US disclosed
US-20160297798-A1 SUBSTITUTED TRIAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-10-13 US disclosed
EP-1696898-B1 ZN 2+ -CHELATING MOTIF-TETHERED SHORT-CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS UNIV OHIO STATE RES FOUND (US) 2015-11-18 EP disclosed
US-9115090-B2 Zn2+-chelating motif-tethered short-chain fatty acids as a novel class of histone deacetylase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2015-08-25 US disclosed
WO-2015076801-A1 SUBSTITUTED TRIAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 WO disclosed
EP-1536838-B1 Hyposensibilisation by hydroxyalkyl starch allergen conjugates FRESENIUS KABI DE GMBH (DE) 2007-01-31 EP disclosed
EP-1696898-A2 ZN 24 -CHELATING MOTIF-TETHERED SHORT-CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-09-06 EP disclosed
US-20060121062-A1 Conjugated hydroxyalkyl starch allergen compounds FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2006-06-08 US disclosed
WO-2005055928-A2 ZN2+ -CHELATING MOTIF-TETHERED SHORT -CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-06-23 WO disclosed
EP-1536838-A1 CONJUGATED HYDROXYALKYL STARCH ALLERGEN COMPOUNDS Fresenius Kabi Deutschland GmbH (DE) 2005-06-08 EP disclosed
WO-2004030701-A1 CONJUGATED HYDROXYALKYL STARCH ALLERGEN COMPOUNDS FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2004-04-15 WO disclosed
EP-0285000-B1 CHROMOGENE COMPOUNDS, THEIR MANUFACTURE AND USE AS ENZYME SUBSTRATES Roche Diagnostics GmbH (DE) 1993-07-28 EP disclosed
US-5190862-A Peptide modified compound BOEHRINGER MANNHEIM GMBH (DE) 1993-03-02 US disclosed
US-5108890-A Diagnostic agents for determining peptide bond-cleaving enzymes; measuring light absorbed by liberated colored materials BOEHRINGER MANNHEIM GMBH (DE) 1992-04-28 US disclosed
EP-0285000-A2 Chromogene compounds, their manufacture and use as enzyme substrates Roche Diagnostics GmbH (DE) 1988-10-05 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 (1 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-20160297798-A1 SUBSTITUTED TRIAZINE BMI-1 INHIBITORS BMI1, BAZ2A, BAZ2B NPC1 2824/4885RAB9A 3670/4885HDAC3 513/4885

“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.