SCHEMBL3286348

SCHEMBL3286348

COc1ccc2nnn(O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.54
HDAC4 P56524 4/20 0.54
HDAC1 Q13547 4/20 0.54
HDAC7 Q8WUI4 4/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC10 Q969S8 4/20 0.54
HDAC11 Q96DB2 4/20 0.54
HDAC8 Q9BY41 4/20 0.54
HDAC6 Q9UBN7 4/20 0.54
HDAC9 Q9UKV0 4/20 0.54
HDAC5 Q9UQL6 4/20 0.54
MAPK1 P28482 2/20 0.48
POLB P06746 2/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MGAM O43451 3/20 0.43
AMY1A P0DUB6 3/20 0.43
GAA P10253 3/20 0.43
SI P14410 3/20 0.43
MGAM2 Q2M2H8 3/20 0.43

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
SCHEMBL3279554 0.86 CTNNB1 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9172861 0.84 CTNNB1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19781817 0.80 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5702789 0.80 SMN1; SMN2 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19848331 0.79 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4594947 0.78 POLB (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19911525 0.77 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19848350 0.77 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21215153 0.76 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19848176 0.76 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9475916-B2 Process for curing surface-coating compositions ALLNEX AUSTRIA GMBH (AT) 2016-10-25 US claimed
US-20140356540-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2014-12-04 US claimed
EP-1092762-B1 Storage stable compositions comprising mediators, peroxide compounds and pH stabilizers, and their use in enzymatic bleaching systems BAYER CHEMICALS AG (DE) 2004-12-08 EP claimed
US-6380142-B1 FOR USE IN ENZYMATIC TWO-COMPONENT BLEACHING SYSTEMS BAYER AKTIENGESELLSCHAFT (DE) 2002-04-30 US claimed
EP-1092762-A1 Storage stable compositions comprising mediators, peroxide compounds and pH stabilizers, and their use in enzymatic bleaching systems Bayer Aktiengesellschaft (DE) 2001-04-18 EP claimed
US-9475916-B2 Process for curing surface-coating compositions ALLNEX AUSTRIA GMBH (AT) 2016-10-25 US disclosed
US-9415047-B2 Use of benzo five-membered nitrogen heterocyclic piperazine or piperidine derivatives Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) 2016-08-16 US disclosed
US-20150297586-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) 2015-10-22 US disclosed
EP-2924033-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES Liaoning Emmy Biological Pharmaceutical Co., Ltd (CN) 2015-09-30 EP disclosed
US-20140356540-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2014-12-04 US disclosed
US-7700196-B2 Method for producing carbonyl group-containing organosilicon compounds WACKER CHEMIE AG (DE) 2010-04-20 US disclosed
EP-1685183-B1 METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2008-01-16 EP disclosed
EP-0885868-A1 Oxidation-process for the production of aldehydes and ketones in the presence of nitrogen-containing compounds Consortium für elektrochemische Industrie GmbH (DE) 1998-12-23 EP disclosed
EP-0882814-A1 System and process for the electrochemical cleavage of compounds Consortium für elektrochemische Industrie GmbH (DE) 1998-12-09 EP disclosed
EP-0745154-B1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM LIGNOZYM GMBH (DE) 1998-09-16 EP disclosed
EP-0745154-A1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM Lignozym GmbH (DE) 1996-12-04 EP disclosed
WO-1996018770-A2 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM LIGNOZYM GMBH (DE) 1996-06-20 WO disclosed
EP-0717143-A1 Multicomponents system for modifying decomposing or bleaching of lignin or materials containing it or similar components and the way to use it Lignozym GmbH (DE) 1996-06-19 EP disclosed
EP-0002774-B1 PROCESS FOR ACYLATING 7AMINOCEPHEM DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-23 EP disclosed
EP-0002774-A1 Process for acylating 7aminocephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-11 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-20150297586-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES P2RX5, TBXA2R, CYP3A5 HDAC3 721/4885HDAC4 1017/4885HDAC1 520/4885

“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.