SCHEMBL253169

SCHEMBL253169

CCCCCNNC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.47
HDAC3 O15379 8/20 0.47
HDAC2 Q92769 8/20 0.47
EPHX1 P07099 6/20 0.46
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 2/20 0.44
CASP2 P42575 1/20 0.42
DPP7 Q9UHL4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL28891444 0.98 EPHX1 (0.50) HDAC1HDAC3HDAC2EPHX1HDAC11
SCHEMBL28059419 0.98 EPHX1 (0.50) HDAC1HDAC3HDAC2EPHX1HDAC11
SCHEMBL8587015 0.98 EPHX1 (0.50) HDAC1HDAC3HDAC2EPHX1HDAC11
SCHEMBL29047889 0.98 EPHX1 (0.50) HDAC1HDAC3HDAC2EPHX1HDAC11
SCHEMBL9029626 0.98 EPHX1 (0.50) HDAC1HDAC3HDAC2EPHX1HDAC11
SCHEMBL11032495 0.98 EPHX1 (0.50) HDAC1HDAC3HDAC2EPHX1HDAC11
SCHEMBL8741361 0.98 EPHX1 (0.50) HDAC1HDAC3HDAC2EPHX1HDAC11
SCHEMBL11293176 0.93
SCHEMBL6836206 0.88 TSHR (0.35) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL31486286 0.88 EPHX1 (0.50) HDAC1HDAC3HDAC2EPHX1HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108948303-B Material based on porous polyacylsemicarbazide, preparation method and application 中国科学院大连化学物理研究所 2020-10-02 CN claimed
EP-2582666-B1 ARYL SUBSTITUTED INDOLES AND THEIR USE AS BLOCKERS OF SODIUM CHANNELS PURDUE PHARMA LP (US) 2014-08-13 EP claimed
US-8372894-B2 Method for producing a radiation on grafted polymer BELENOS CLEAN POWER HOLDING AG (CH) 2013-02-12 US claimed
CN-102216354-A Process for preparing radiation graft polymers BELENOS CLEAN POWER HOLDING AG 2011-10-12 CN claimed
US-20110245365-A1 METHOD FOR PRODUCING A RADIATION GRAFTED POLYMER BELENOS CLEAN POWER HOLDING AG (CH) 2011-10-06 US claimed
US-20110207726-A1 Inhibitors of Human Cathepsin L, Cathepsin B, and Cathepsin S THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-08-25 US claimed
WO-2009136997-A2 INHIBITORS OF HUMAN CATHEPSIN L, CATHEPSIN B, AND CATHEPSIN S THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-11-12 WO claimed
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US claimed
US-7455959-B2 Photographic element containing a speed-enhancing compound EASTMAN KODAK COMPANY (US) 2008-11-25 US claimed
US-20080248433-A1 PHOTOGRAPHIC ELEMENT CONTAINING A SPEED-ENHANCING COMPOUND NPEC INC. 2008-10-09 US claimed
US-5508421-A Pyrrolotriazole azomethine dye, and heat transfer dye providing material containing a pyrrolotriazole azomethine dye FUJI PHOTO FILM CO., LTD. (JP) 1996-04-16 US claimed
US-5498772-A SUBSTRATE WITH HEAT SENSITIVE LAYER AND OPTICAL RECORDING LAYER MITSUBISHI PAPER MILLS LIMITED (JP) 1996-03-12 US claimed
EP-0433853-B1 Use of 1-aryl semicarbazides for stabilisation of enzyme substrates, corresponding procedure and diagnostic means containing such stabiliser BOEHRINGER MANNHEIM GMBH (DE) 1995-08-16 EP claimed
US-5391482-A Method and diagnostic agent for enzyme substrate stabilization using 1-arylsemicarbazides BOEHRINGER MANNHEIM GMBH (DE) 1995-02-21 US claimed
US-5334505-A For colorimetric determination of hydrolases BOEHRINGER MANNHEIM GMBH (DE) 1994-08-02 US claimed
WO-1992000748-A1 POLY(ALKYLENE OXIDE) AMINO ACID COPOLYMERS AND DRUG CARRIERS AND CHARGED COPOLYMERS BASED THEREON ENZON, INC. (US) 1992-01-23 WO claimed
EP-0433853-A1 Use of 1-aryl semicarbazides for stabilisation of enzyme substrates, corresponding procedure and diagnostic means containing such stabiliser Roche Diagnostics GmbH (DE) 1991-06-26 EP claimed
EP-0166389-B1 NEW TETRACYCLO COMPOUNDS, A PROCESS FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-23 EP claimed
EP-0301946-A1 Process for the preparation of 1,2,4-triazol-3-ones SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1989-02-01 EP claimed
US-4220713-A Stabilized diagnostic agent BOEHRINGER MANNHEIM GMBH (DE) 1980-09-02 US claimed

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-20110207726-A1 Inhibitors of Human Cathepsin L, Cathepsin B, and Cathepsin S CTSB, CTSS, CTSV HDAC1 375/4885HDAC3 716/4885HDAC2 464/4885
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS PPARG, PPARA, PPARD HDAC1 894/4885HDAC3 99/4885HDAC2 1132/4885

“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.