SCHEMBL3465495

SCHEMBL3465495

O=NCCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.57
MIF P14174 3/20 0.55
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SIGMAR1 Q99720 2/20 0.48
MAOA P21397 1/20 0.48
NAAA Q02083 3/20 0.47

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
SCHEMBL1523403 0.93 MIF (0.57) HTR3AMIFHDAC3HDAC4HDAC1
SCHEMBL29152182 0.91 NAAA (0.58) HTR3AMIFHDAC1HDAC2SIGMAR1
SCHEMBL21694457 0.91 MIF (0.55) HTR3AMIFHDAC3HDAC4HDAC1
SCHEMBL5035695 0.91 MIF (0.55) HTR3AMIFHDAC3HDAC4HDAC1
SCHEMBL10456657 0.91 MIF (0.55) HTR3AMIFHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL28503124 0.91 MIF (0.55) HTR3AMIFHDAC3HDAC4HDAC1
SCHEMBL20195110 0.87 FFAR1 (0.50) HTR3AMIFHDAC1HDAC2
SCHEMBL944031 0.85 HIF1A (0.52) HTR3AMIFHDAC3HDAC4HDAC1
P-Xylene SCHEMBL28772421 0.84 SCN5A (0.52) MIFSIGMAR1MAOANAAAMAPT
Toluene SCHEMBL27574812 0.84 SCN5A (0.49) HTR3AMIFSIGMAR1MAOANAAA

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-20100240602-A1 METHODS AND COMPOSITIONS FOR OPTIMIZING BLOOD AND TISSUE STABILITY OF CAMPTOTHECIN AND OTHER ALBUMIN-BINDING THERAPEUTIC COMPOUNDS BURKE THOMAS G 2010-09-23 US claimed
EP-1372571-A4 METHOD AND COMPOSITIONS FOR OPTIMIZING BLOOD AND TISSUE STABILITY OF CAMPTOTHECIN AND OTHER ALBUMIN-BINDING THERAPEUTIC COMPOUNDS NEW CENTURY PHARMACEUTICALS (US) 2006-06-07 EP claimed
EP-1372571-A2 METHOD AND COMPOSITIONS FOR OPTIMIZING BLOOD AND TISSUE STABILITY OF CAMPTOTHECIN AND OTHER ALBUMIN-BINDING THERAPEUTIC COMPOUNDS New Century Pharmaceuticals, Inc. (US) 2004-01-02 EP claimed
US-20020193318-A1 Methods and compositions for optimizing blood and tissue stability of camptothecin and other albumin-binding therapeutic compounds NEW CENTURY PHARMACEUTICALS, INC. 2002-12-19 US claimed
WO-2002074246-A2 METHOD AND COMPOSITIONS FOR OPTIMIZING BLOOD AND TISSUE STABILITY OF CAMPTOTHECIN AND OTHER ALBUMIN-BINDING THERAPEUTIC COMPOUNDS NEW CENTURY PHARMACEUTICALS, INC. (US) 2002-09-26 WO claimed
EP-3443959-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN Bio-Pharm Solutions Co., Ltd. (KR) 2019-02-20 EP disclosed
US-10201617-B2 3-substituted piperidine-2, 6-diones and non-covalent complexes with albumin ZHUHAI BEIHAI BIOTECH CO., LTD. (CN) 2019-02-12 US disclosed
US-9962452-B2 Soluble complexes of drug analogs and albumin ZHUHAI BEIHAI BIOTECH CO., LTD. (CN) 2018-05-08 US disclosed
US-9937259-B2 Abiraterone derivatives and non-covalent complexes with albumin ZHUHAI BEIHAI BIOTECH CO., LTD. (CN) 2018-04-10 US disclosed
US-20170319708-A1 3-Substituted Piperidine-2, 6-Diones and Non-Covalent Complexes with Albumin ZHUHAI BEIHAI BIOTECH CO., LTD. (CN) 2017-11-09 US disclosed
US-20170216443-A1 ABIRATERONE DERIVATIVES AND NON-COVALENT COMPLEXES WITH ALBUMIN ZHUHAI BEIHAI BIOTECH CO., LTD. (CN) 2017-08-03 US disclosed
WO-2016005407-A1 ONE-POT SYNTHESIS OF SQUARAMIDES UNIVERSIDAD DE ZARAGOZA (ES) 2016-01-14 WO disclosed
WO-2012156367-A1 AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES AS MKNK1 KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-22 WO disclosed
US-20100256383-A1 Compounds and Methods of Arylmethylation (Benzylation) As Protection For Alcohol Groups During Chemical Synthesis DUDLEY GREGORY 2010-10-07 US disclosed
US-20100240602-A1 METHODS AND COMPOSITIONS FOR OPTIMIZING BLOOD AND TISSUE STABILITY OF CAMPTOTHECIN AND OTHER ALBUMIN-BINDING THERAPEUTIC COMPOUNDS BURKE THOMAS G 2010-09-23 US disclosed
US-7691872-B2 Methods and compositions for optimizing blood and tissue stability of camptothecin and other albumin-binding therapeutic compounds UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-04-06 US disclosed
EP-1372571-A4 METHOD AND COMPOSITIONS FOR OPTIMIZING BLOOD AND TISSUE STABILITY OF CAMPTOTHECIN AND OTHER ALBUMIN-BINDING THERAPEUTIC COMPOUNDS NEW CENTURY PHARMACEUTICALS (US) 2006-06-07 EP disclosed
EP-1372571-A2 METHOD AND COMPOSITIONS FOR OPTIMIZING BLOOD AND TISSUE STABILITY OF CAMPTOTHECIN AND OTHER ALBUMIN-BINDING THERAPEUTIC COMPOUNDS New Century Pharmaceuticals, Inc. (US) 2004-01-02 EP disclosed
US-20020193318-A1 Methods and compositions for optimizing blood and tissue stability of camptothecin and other albumin-binding therapeutic compounds NEW CENTURY PHARMACEUTICALS, INC. 2002-12-19 US disclosed
WO-2002074246-A2 METHOD AND COMPOSITIONS FOR OPTIMIZING BLOOD AND TISSUE STABILITY OF CAMPTOTHECIN AND OTHER ALBUMIN-BINDING THERAPEUTIC COMPOUNDS NEW CENTURY PHARMACEUTICALS, INC. (US) 2002-09-26 WO 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 (5 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-20170216443-A1 ABIRATERONE DERIVATIVES AND NON-COVALENT COMPLEXES WITH ALBUMIN CYP17A1, SHBG, CYP19A1 HTR3A 3912/4885MIF 3978/4885HDAC3 3051/4885
US-10201617-B2 3-substituted piperidine-2, 6-diones and non-covalent complexes with albumin ALB, BCL9, CD2BP2 HTR3A 3878/4885MIF 3996/4885HDAC3 1911/4885
US-20170319708-A1 3-Substituted Piperidine-2, 6-Diones and Non-Covalent Complexes with Albumin ALB, BCL9, CD2BP2 HTR3A 3878/4885MIF 3996/4885HDAC3 1911/4885
US-20100240602-A1 METHODS AND COMPOSITIONS FOR OPTIMIZING BLOOD AND TISSUE STABILITY OF CAMPTOTHECIN AND OTHER ALBUMIN-BINDING THERAPEUTIC COMPOUNDS ALB, MTHFD1, DHFR HTR3A 3880/4885MIF 65/4885HDAC3 3856/4885
US-20020193318-A1 Methods and compositions for optimizing blood and tissue stability of camptothecin and other albumin-binding therapeutic compounds ALB, TYMP, SHBG HTR3A 2461/4885MIF 396/4885HDAC3 4597/4885

“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.