SCHEMBL5534575

SCHEMBL5534575

OCCCCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.57
HDAC1 Q13547 1/20 0.57
MGLL Q99685 1/20 0.54
FFAR1 O14842 1/20 0.52
CA2 P00918 2/20 0.50
LTA4H P09960 1/20 0.49
EPHX2 P34913 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
RARB P10826 4/20 0.47
MAPT P10636 2/20 0.47
MMP12 P39900 2/20 0.47
MMP13 P45452 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RARA P10276 1/20 0.47
MTOR P42345 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAOB P27338 1/20 0.47
FDFT1 P37268 1/20 0.46

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
SCHEMBL5540196 1.00 HDAC2 (0.57) HDAC2HDAC1MGLLFFAR1CA2
SCHEMBL2162241 0.98 HDAC2 (0.56) HDAC2HDAC1MGLLFFAR1CA2
SCHEMBL81999 0.91 LTA4H (0.56) HDAC2HDAC1MGLLFFAR1CA2
SCHEMBL8623391 0.91 LTA4H (0.56) HDAC2HDAC1MGLLFFAR1CA2
SCHEMBL15870453 0.91 CA2 (0.57) HDAC2HDAC1MGLLCA2RARB
SCHEMBL1006585 0.87 TDP1 (0.64) HDAC2HDAC1LTA4HEPHX2TDP1
SCHEMBL1005849 0.87 TDP1 (0.64) HDAC2HDAC1LTA4HEPHX2TDP1
SCHEMBL538370 0.87 TDP1 (0.64) HDAC2HDAC1LTA4HEPHX2TDP1
SCHEMBL1006372 0.87 TDP1 (0.64) HDAC2HDAC1LTA4HEPHX2TDP1
SCHEMBL1006479 0.87 TDP1 (0.64) HDAC2HDAC1LTA4HEPHX2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550753-B2 Mono quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2017-01-24 US disclosed
US-9550753-B2 Mono quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2017-01-24 US disclosed
US-20140371266-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIV KENTUCKY RES FOUND (US) 2014-12-18 US disclosed
US-20140371266-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIV KENTUCKY RES FOUND (US) 2014-12-18 US disclosed
US-8846937-B2 Mono quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-09-30 US disclosed
US-8846937-B2 Mono quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-09-30 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20100113511-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-05-06 US disclosed
US-20100113511-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-05-06 US disclosed
WO-2007149392-A1 MONO QUATERNARY AMMONIUM SALTS AND METHODS FOR MODULATING NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS UNIVERSITY OF KENTUCKY (US) 2007-12-27 WO disclosed
WO-2007149392-A1 MONO QUATERNARY AMMONIUM SALTS AND METHODS FOR MODULATING NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS UNIVERSITY OF KENTUCKY (US) 2007-12-27 WO disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20070004803-A1 Compounds and methods for use in treating neoplasia and cancer based upon inhibitors of isoprenylcysteine methyltransferase PURDUE RESEARCH FOUNDATION (US) 2007-01-04 US disclosed
US-20070004803-A1 Compounds and methods for use in treating neoplasia and cancer based upon inhibitors of isoprenylcysteine methyltransferase PURDUE RESEARCH FOUNDATION (US) 2007-01-04 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed
EP-0295056-B1 ANTI-INFLAMMATORY FURANONES ALLERGAN, INC (US) 1992-08-05 EP 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 (4 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-20070004803-A1 Compounds and methods for use in treating neoplasia and cancer based upon inhibitors of isoprenylcysteine methyltransferase BHMT, BHMT2, GNMT HDAC2 3885/4885HDAC1 3106/4885MGLL 4079/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 HDAC2 502/4885HDAC1 322/4885MGLL 4717/4885
US-20100113511-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA4, CHRNA5 HDAC2 558/4885HDAC1 204/4885MGLL 1863/4885
US-20140371266-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA4, CHRNA5 HDAC2 580/4885HDAC1 209/4885MGLL 1838/4885

“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.