SCHEMBL1037883

SCHEMBL1037883

OCCNCc1ccc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PDCD1 Q15116 2/20 0.46
CD274 Q9NZQ7 2/20 0.46
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
CYSLTR1 Q9Y271 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.44
VSIR Q9H7M9 2/20 0.42
RAB9A P51151 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL1038626 0.90 HDAC1 (0.48) HDAC1HDAC2HDAC8HDAC6PDCD1
SCHEMBL30388584 0.89 KDM1A (0.50) HDAC1HDAC2HDAC8HDAC6KDM1A
SCHEMBL10616742 0.87 KDM1A (0.49) HDAC1HDAC2HDAC8HDAC6KDM1A
SCHEMBL24943587 0.85 HDAC1 (0.55) HDAC1HDAC2HDAC8HDAC6KDM1A
SCHEMBL13893121 0.85 HDAC1 (0.43) HDAC1HDAC2HDAC8HDAC6KDM1A
SCHEMBL10614795 0.84 HDAC1 (0.48) HDAC1HDAC2HDAC8HDAC6KDM1A
SCHEMBL13614140 0.83 MAOA (0.46) HDAC1HDAC2HDAC8HDAC6KDM1A
SCHEMBL4725706 0.83 MC4R (0.51) HDAC1HDAC2HDAC8HDAC6KDM1A
SCHEMBL13618963 0.81 KDM1A (0.44) HDAC1HDAC2HDAC8HDAC6KDM1A
SCHEMBL30331437 0.81 NCF1 (0.46) HDAC1HDAC2HDAC8HDAC6KDM1A

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
EP-1554239-B1 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-26 EP disclosed
EP-1554239-B1 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-26 EP disclosed
US-20090104124-A1 Paramagnetic Complexes with Pendant Crown Compounds Showing Improved Targeting- Specificity as MRI Contrast Agents UNIVERSITY HONG KONG, THE (CN) 2009-04-23 US disclosed
US-7435815-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-10-14 US disclosed
US-7435815-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-10-14 US disclosed
US-7435815-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-10-14 US disclosed
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-18 US disclosed
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-18 US disclosed
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-18 US disclosed
US-7279578-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-09 US disclosed
US-7279578-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-09 US disclosed
US-7279578-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-09 US disclosed
CN-1332942-C Sulfonylamino-acetic acid derivatives and their use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2007-08-22 CN disclosed
US-20060014783-A1 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-19 US disclosed
CN-1703397-A Sulfonylamino-acetic acid derivatives and their use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2005-11-30 CN disclosed
EP-1554239-A2 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-07-20 EP disclosed
EP-1406631-A4 DOPAMINE RECEPTOR LIGANDS AND THERAPEUTIC METHODS BASED THEREON UNIV MICHIGAN (US) 2005-03-23 EP disclosed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 WO disclosed
EP-1406631-A2 DOPAMINE RECEPTOR LIGANDS AND THERAPEUTIC METHODS BASED THEREON THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2004-04-14 EP disclosed
WO-2002100350-A2 DOPAMINE RECEPTOR LIGANDS AND THERAPEUTIC METHODS BASED THEREON THE REGENTS OF UNIVERSITY OF MICHIGAN (US) 2002-12-19 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 (3 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-20060014783-A1 Sulfonylamino-acetic acid derivatives HCRTR2, HCRTR1, GIPR HDAC1 642/4885HDAC2 370/4885HDAC8 568/4885
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES HCRTR2, HCRTR1, GIPR HDAC1 642/4885HDAC2 370/4885HDAC8 568/4885
US-20090104124-A1 Paramagnetic Complexes with Pendant Crown Compounds Showing Improved Targeting- Specificity as MRI Contrast Agents ABCB11, ATP6V1B1, SLC5A7 HDAC1 2262/4885HDAC2 3005/4885HDAC8 2529/4885

“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.