SCHEMBL4251872

SCHEMBL4251872

NC(C(=O)O)c1csc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.54
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PKM P14618 1/20 0.42
CMA1 P23946 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL8126573 0.86 ALOX5 (0.57) ALOX5HDAC3HDAC4HDAC1HDAC7
SCHEMBL10821183 0.85 ALOX5 (0.52) ALOX5HDAC3HDAC4HDAC1HDAC7
SCHEMBL8126570 0.85 ALOX5 (0.52) ALOX5HDAC3HDAC4HDAC1HDAC7
SCHEMBL8627954 0.85 ALOX5 (0.52) ALOX5HDAC3HDAC4HDAC1HDAC7
SCHEMBL10069422 0.85 ALOX5 (0.56) ALOX5HDAC3HDAC4HDAC1HDAC7
SCHEMBL19682606 0.81 ALOX5 (0.59) ALOX5HDAC3HDAC4HDAC1HDAC7
SCHEMBL14622826 0.81 ALOX5 (0.59) ALOX5HDAC3HDAC4HDAC1HDAC7
SCHEMBL20889296 0.81 ALOX5 (0.59) ALOX5HDAC3HDAC4HDAC1HDAC7
SCHEMBL4621032 0.81 ALOX5 (0.52) ALOX5HDAC3HDAC4HDAC1HDAC7
SCHEMBL4478674 0.81 ALOX5 (0.51) ALOX5HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124654-A1 Aryl and Heteroaryl Compounds, Compositions, Methods of Use TRANSTECH PHARMA, INC. 2009-05-14 US disclosed
EP-1888566-A1 2-[(ISOQUINOLIN-3-CARBONYL)AMINO]-PROPIONIC ACID DERIVATIVES AS INHIBITORS OF FACTORS XI AND IX FOR THE TREATMENT OF THROMBOSIS Transtech Pharma, Inc. (US) 2008-02-20 EP disclosed
US-20070254916-A1 Aryl and heteroaryl compounds, compositions, and methods of use MJALLI ADNAN M 2007-11-01 US disclosed
US-7208601-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, LLC 2007-04-24 US disclosed
WO-2006093823-A9 2- [ ISOQUINOLIN-S - CARBONYL ) AMINO] -PROPIONIC ACID DERIVATIVES AS INHIBITORS OF FACTORS XI AND IX FOR THE TREATMENT OF THROMBOSIS TRANSTECH PHARMA INC (US) 2006-11-02 WO disclosed
US-20060223761-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. (US) 2006-10-05 US disclosed
WO-2006093823-A1 2- [ ISOQUINOLIN-S - CARBONYL ) AMINO] -PROPIONIC ACID DERIVATIVES AS INHIBITORS OF FACTORS XI AND IX FOR THE TREATMENT OF THROMBOSIS TRANSTECH PHARMA, INC. (US) 2006-09-08 WO disclosed
US-20050171148-A1 Aryl and heteroaryl compounds, compositions, methods of use TRANSTECH PHARMA, LLC 2005-08-04 US disclosed
US-6888022-B2 Methods and compounds for inhibiting β-amyloid peptide release and/or its synthesis ATHENA NEUROSCIENCES, INC. (US) 2005-05-03 US disclosed
US-6861558-B2 Methods and compounds for inhibiting β-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. (US) 2005-03-01 US disclosed
US-20030229024-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis AUDIA JAMES E (US) 2003-12-11 US disclosed
US-6476263-B1 Compounds for inhibiting β-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-20020052322-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. 2002-05-02 US disclosed
US-6211235-B1 ALZHEIMERS DISEASE ELAN PHARMACEUTICALS, INC. 2001-04-03 US disclosed
US-6207710-B1 FOR THERAPY OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2001-03-27 US disclosed
US-6191166-B1 ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2001-02-20 US disclosed
CN-1238779-A Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis ELAN PHARM INC (US) 1999-12-15 CN disclosed
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP disclosed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO disclosed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 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 (6 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-20020052322-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis APP, BACE1, IAPP ALOX5 1016/4885HDAC3 4055/4885HDAC4 3841/4885
US-20090124654-A1 Aryl and Heteroaryl Compounds, Compositions, Methods of Use F3, F12, CFH ALOX5 778/4885HDAC3 84/4885HDAC4 1498/4885
US-20060223761-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis APP, BACE1, IAPP ALOX5 1062/4885HDAC3 3952/4885HDAC4 3819/4885
US-20030229024-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis APP, BACE1, IAPP ALOX5 1016/4885HDAC3 4055/4885HDAC4 3841/4885
US-20070254916-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F9, F3 ALOX5 248/4885HDAC3 141/4885HDAC4 1470/4885
US-20050171148-A1 Aryl and heteroaryl compounds, compositions, methods of use TFPI, F3, F2 ALOX5 304/4885HDAC3 109/4885HDAC4 1505/4885

“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.