SCHEMBL5604342

SCHEMBL5604342

O=C(C=Cc1ccc(Br)cc1)NO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 9/20 0.67
HDAC8 Q9BY41 6/20 0.67
HDAC3 O15379 5/20 0.67
HDAC1 Q13547 5/20 0.67
HDAC6 Q9UBN7 5/20 0.67
HDAC4 P56524 3/20 0.67
HDAC10 Q969S8 3/20 0.63
HDAC11 Q96DB2 3/20 0.63
HDAC5 Q9UQL6 3/20 0.63
HDAC7 Q8WUI4 2/20 0.63
HDAC9 Q9UKV0 2/20 0.63
ADAM17 P78536 1/20 0.61
CYP1A2 P05177 1/20 0.60
LMNA P02545 2/20 0.57
NPC1 O15118 1/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
THRB P10828 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL5604340 1.00 HDAC2 (0.67) HDAC2HDAC8HDAC3HDAC1HDAC6
SCHEMBL1319842 0.89 HDAC3 (0.73) HDAC2HDAC8HDAC3HDAC1HDAC6
SCHEMBL1319844 0.89 HDAC3 (0.73) HDAC2HDAC8HDAC3HDAC1HDAC6
SCHEMBL6608062 0.86 LMNA (0.56) HDAC2HDAC8HDAC3HDAC1HDAC6
SCHEMBL6608068 0.86 LMNA (0.56) HDAC2HDAC8HDAC3HDAC1HDAC6
SCHEMBL14244525 0.83 HDAC2 (0.67) HDAC2HDAC8HDAC3HDAC1HDAC6
SCHEMBL14244759 0.83 HDAC2 (0.89) HDAC2HDAC8HDAC3HDAC1HDAC6
SCHEMBL12425729 0.83 HDAC2 (0.89) HDAC2HDAC8HDAC3HDAC1HDAC6
SCHEMBL12425744 0.83 HDAC2 (0.67) HDAC2HDAC8HDAC3HDAC1HDAC6
SCHEMBL2744670 0.82 F3 (0.64) CYP1A2LMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 US disclosed
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA DUKE UNIVERSITY (US) 2012-12-20 US disclosed
EP-0946478-B1 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES AND HYDROXAMIC ACID COMPOUNDS AVENTIS PHARMA INC (US) 2007-02-14 EP disclosed
EP-1688406-A2 Polymeric resin compounds and their preparation Aventis Pharmaceuticals Products Inc. (US) 2006-08-09 EP disclosed
EP-1674484-A2 Process for the solid phase synthesis of aldehydes, ketones, oximes, amines and hydroxamic acid componds Aventis Pharmaceuticals Products Inc. (US) 2006-06-28 EP disclosed
EP-0946478-A4 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS AVENTIS PHARM PROD INC (US) 2004-09-08 EP disclosed
US-6710208-B2 REACTING AN N-ALKYLATED POLYMERIC HYDROXAMIC ACID RESIN WITH AN ORGANOMETALLIC REAGENT TO LIBERATE THE KETONE AVENTIS PHARMACEUTICALS INC. 2004-03-23 US disclosed
EP-1359136-A2 Polymeric resin compounds and their preparation Aventis Pharmaceuticals Products Inc. (US) 2003-11-05 EP disclosed
US-20020183558-A1 Process for the solid phase synthesis of aldehyde, ketone, oxime, amine, hydroxamic acid and alpha, beta-unsaturated carboxylic acid and aldehyde compounds AVENTIS PHARMACEUTICALS INC. 2002-12-05 US disclosed
EP-1089958-A4 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDE, KETONE, OXIME, AMINE, HYDROXAMIC ACID AND ALPHA,BETA-UNSATURATED CARBOXYLIC ACID AND ALDEHYDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-10-09 EP disclosed
US-6392010-B1 FLUOROPHENYL HYDROXYLAMINE RESIN AVENTIS PHARMACEUTICALS INC. 2002-05-21 US disclosed
EP-1089958-A2 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDE, KETONE, OXIME, AMINE, HYDROXAMIC ACID AND ALPHA,BETA-UNSATURATED CARBOXYLIC ACID AND ALDEHYDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-04-11 EP disclosed
US-6133409-A REACTING A SOLID SUPPORT-BOUND N-ALKYLATED HYDROXAMIC ACID WITH A CARBON-NITROGEN CLEAVING ORGANOMETALLIC COMPUND TO LIBERATE THE PRODUCT KETONE AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-10-17 US disclosed
WO-1999067192-A2 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDE, KETONE, OXIME, AMINE, HYDROXAMIC ACID AND α,β-UNSATURATED CARBOXYLIC ACID AND ALDEHYDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-29 WO disclosed
EP-0946478-A1 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-10-06 EP disclosed
WO-1998029376-A1 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-07-09 WO disclosed
US-4820828-A BRONCHODILATOR AGENTS, ENZYME INHIBITORS ORTHO PHARMACEUTICAL CORPORATION (US) 1989-04-11 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-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA PGLS, RRS1, MRPL21 HDAC2 4243/4885HDAC8 3068/4885HDAC3 2208/4885
US-20020183558-A1 Process for the solid phase synthesis of aldehyde, ketone, oxime, amine, hydroxamic acid and alpha, beta-unsaturated carboxylic acid and aldehyde compounds OGDH, OXGR1, ALDH7A1 HDAC2 520/4885HDAC8 283/4885HDAC3 1019/4885

“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.