SCHEMBL10207296

SCHEMBL10207296

O=C(NO)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 1.00
HDAC1 Q13547 9/20 1.00
HDAC8 Q9BY41 8/20 1.00
HDAC2 Q92769 6/20 1.00
HDAC3 O15379 6/20 1.00
HDAC4 P56524 4/20 1.00
HDAC7 Q8WUI4 4/20 1.00
HDAC11 Q96DB2 4/20 1.00
HDAC9 Q9UKV0 4/20 1.00
HDAC5 Q9UQL6 4/20 1.00
HDAC10 Q969S8 3/20 1.00
NR1H4 Q96RI1 2/20 0.76

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
SCHEMBL3034687 0.91 HDAC6 (0.83) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL3033469 0.90 HDAC6 (0.81) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL14260700 0.89 HDAC1 (0.80) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL28918342 0.88 HDAC1 (0.79) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL14894197 0.88 NR1H4 (0.85) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL12588095 0.87 HDAC1 (0.77) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL3028724 0.87 HDAC6 (0.76) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL7322242 0.87 NR1H4 (1.00) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL2412199 0.86 HDAC1 (0.75) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL4569169 0.86 HDAC1 (0.75) HDAC6HDAC1HDAC8HDAC2HDAC3

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-20150168424-A1 IGFBP2 Biomarker WANG YAN (US) 2015-06-18 US disclosed
US-20150056191-A1 IGF1 BIOMARKER FOR IGF1R INHIBITOR THERAPY MERCK SHARP & DOHME CORP. 2015-02-26 US disclosed
US-20140079665-A1 THERAPEUTIC ANTI-IGF1R COMBINATIONS MERCK SHARP & DOHME CORP. 2014-03-20 US disclosed
US-20130243692-A1 FDG-PET EVALUATION OF EWING'S SARCOMA SENSITIVITY MERCK SHARP & DOHME CORP. (US) 2013-09-19 US disclosed
EP-2405270-B1 IGFBP2-Biomarker MERCK SHARP & DOHME (US) 2013-07-17 EP disclosed
US-8470297-B1 FDG-pet evaluation of Ewing's sarcoma sensitivity MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
WO-2013057186-A1 PHOTOLABILE LINKER FOR THE SYNTHESIS OF HYDROXAMIC ACIDS DANMARKS TEKNISKE UNIVERSITET (DK) 2013-04-25 WO disclosed
WO-2012158657-A1 THERAPEUTIC ANTI-IGF1R COMBINATIONS MERCK SHARP & DOHME CORP. (US) 2012-11-22 WO disclosed
EP-2405270-A1 IGFBP2-Biomarker Schering Corporation (US) 2012-01-11 EP disclosed
US-20110262525-A1 METHODS OF TREATMENT SCHERING CORPORATION (US) 2011-10-27 US disclosed
WO-2011057064-A1 IGF1R INHIBITOR BASED TREATMENT OF PROSTATE CANCER LONG BRIAN (US) 2011-05-12 WO disclosed
US-20110091524-A1 BIOMARKERS FOR SENSITIVITY TO ANTI-IGF1R THERAPY MERCK SHARP & DOHME CORP. 2011-04-21 US disclosed
US-20110009387-A1 HISTONE H2AX (HH2AX) BIOMARKER FOR FTI SENSITIVITY SCHERING CORPORATION 2011-01-13 US disclosed
WO-2010124009-A2 FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING SCHERING CORPORATION (US) 2010-10-28 WO disclosed
WO-2009055343-A2 FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING SCHERING CORPORATION (US) 2009-04-30 WO disclosed
WO-2009005673-A1 ANTI-IGF1R SCHERING CORPORATION (US) 2009-01-08 WO disclosed
US-20080112888-A1 IGFBP2 BIOMARKER SCHERING CORPORATION 2008-05-15 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 (8 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-20150168424-A1 IGFBP2 Biomarker IGFBP2, IGFBP1, IGFBP5 HDAC6 1580/4885HDAC1 1207/4885HDAC8 1250/4885
US-20130243692-A1 FDG-PET EVALUATION OF EWING'S SARCOMA SENSITIVITY IGF1R, IRS1, EWSR1 HDAC6 3567/4885HDAC1 2097/4885HDAC8 2306/4885
US-20080112888-A1 IGFBP2 BIOMARKER IGFBP2, IGFBP1, IGFBP5 HDAC6 1580/4885HDAC1 1207/4885HDAC8 1250/4885
US-20150056191-A1 IGF1 BIOMARKER FOR IGF1R INHIBITOR THERAPY IGF1R, IGFBP1, IGF2BP2 HDAC6 3085/4885HDAC1 1120/4885HDAC8 1778/4885
US-20140079665-A1 THERAPEUTIC ANTI-IGF1R COMBINATIONS IGF1R, IGFBP1, IGFBP3 HDAC6 653/4885HDAC1 849/4885HDAC8 1805/4885
US-20110009387-A1 HISTONE H2AX (HH2AX) BIOMARKER FOR FTI SENSITIVITY TERF2IP, TERF2, DOT1L HDAC6 84/4885HDAC1 89/4885HDAC8 180/4885
US-20110262525-A1 METHODS OF TREATMENT ASAH2, FOLH1, CD44 HDAC6 130/4885HDAC1 699/4885HDAC8 436/4885
US-20110091524-A1 BIOMARKERS FOR SENSITIVITY TO ANTI-IGF1R THERAPY IGF1R, IGFBP1, IGFBP2 HDAC6 1868/4885HDAC1 2006/4885HDAC8 1856/4885

“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.