SCHEMBL2187091

SCHEMBL2187091

COC(=O)c1ccc(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.49
CA2 P00918 8/20 0.49
CA9 Q16790 7/20 0.49
MAPT P10636 3/20 0.45
P4HB P07237 1/20 0.43
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
STS P08842 1/20 0.42
LPL P06858 2/20 0.41
LIPG Q9Y5X9 2/20 0.41
AAK1 Q2M2I8 1/20 0.41
HIF1A Q16665 1/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL105161 0.92 CA1 (0.50) CA1CA2CA9MAPTP4HB
SCHEMBL16968584 0.88 LIPG (0.56) CA1CA2CA9P4HBCA12
SCHEMBL19862517 0.85 LIPG (0.49) CA1CA2CA9P4HBCA12
SCHEMBL14782605 0.85 MAPT (0.59) CA1CA2CA9MAPTP4HB
SCHEMBL23518587 0.84 RAB9A (0.56) CA1CA2CA9MAPTP4HB
SCHEMBL19459296 0.84 PTPN11 (0.49) CA1CA2CA9MAPTP4HB
SCHEMBL6228298 0.84 MAPT (0.61) MAPTAAK1HIF1AKMT2AMEN1
SCHEMBL17129341 0.84 RAB9A (0.59) CA1CA2CA9MAPTHIF1A
SCHEMBL18124825 0.83 CA1 (0.53) CA1CA2CA9P4HBCA12
SCHEMBL5243207 0.82 CA1 (0.61) CA1CA2CA9P4HBCA12

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-8748621-B2 1,3-disubstituted 4-(aryl-X-phenyl)-1H-pyridin-2-ones Janssen Pharmaceuticals, Inc. (US) 2014-06-10 US disclosed
US-8748621-B2 1,3-disubstituted 4-(aryl-X-phenyl)-1H-pyridin-2-ones Janssen Pharmaceuticals, Inc. (US) 2014-06-10 US disclosed
US-8748621-B2 1,3-disubstituted 4-(aryl-X-phenyl)-1H-pyridin-2-ones Janssen Pharmaceuticals, Inc. (US) 2014-06-10 US disclosed
US-20120309793-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ADDEX PHARMA, S.A. (CH) 2012-12-06 US disclosed
US-20120309793-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ADDEX PHARMA, S.A. (CH) 2012-12-06 US disclosed
US-20120309793-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ADDEX PHARMA, S.A. (CH) 2012-12-06 US disclosed
US-8252937-B2 1,3-disubstituted 4-(aryl-X-phenyl)-1H-pyridin-2-ones Janssen Pharmaceuticals, Inc. (US) 2012-08-28 US disclosed
US-8252937-B2 1,3-disubstituted 4-(aryl-X-phenyl)-1H-pyridin-2-ones Janssen Pharmaceuticals, Inc. (US) 2012-08-28 US disclosed
US-8252937-B2 1,3-disubstituted 4-(aryl-X-phenyl)-1H-pyridin-2-ones Janssen Pharmaceuticals, Inc. (US) 2012-08-28 US disclosed
EP-2200985-B1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO MCNEIL JANSSEN PHARM (US) 2011-07-13 EP disclosed
EP-2200985-B1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO MCNEIL JANSSEN PHARM (US) 2011-07-13 EP disclosed
US-20100286206-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed
US-20100286206-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed
US-20100286206-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed
EP-2200985-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2010-06-30 EP disclosed
WO-2009033702-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2009-03-19 WO disclosed
WO-2009033702-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2009-03-19 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 (2 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-20120309793-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES GRM2, GRM1, GRM3 CA1 4254/4885CA2 1717/4885CA9 4847/4885
US-20100286206-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES GRM2, GRM1, GRM3 CA1 4254/4885CA2 1717/4885CA9 4847/4885

“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.