SCHEMBL2502604

SCHEMBL2502604

Cc1[nH]c(=O)oc1-c1cnc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.49
TOP2B Q02880 1/20 0.49
CYP1A2 P05177 1/20 0.45
PARP10 Q53GL7 1/20 0.44
PARP11 Q9NR21 1/20 0.44
PDGFRA P16234 4/20 0.44
PDGFRB P09619 3/20 0.44
CLK4 Q9HAZ1 2/20 0.43
MAP4K4 O95819 1/20 0.43
CSNK1G2 P78368 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MAP4K5 Q9Y4K4 1/20 0.43
CYP2A6 P11509 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
NISCH Q9Y2I1 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
BIRC5 O15392 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
SCHEMBL9361685 0.81 PDE10A (0.44) TOP2ATOP2BPARP10PARP11PDGFRA
SCHEMBL9705539 0.73 PDGFRA (0.62) PDGFRACLK4CA12CA1CA2
SCHEMBL32667946 0.71 PDGFRB (0.77) TOP2ATOP2BCYP1A2PDGFRAPDGFRB
SCHEMBL2772360 0.71 PDGFRB (0.77) TOP2ATOP2BCYP1A2PDGFRAPDGFRB
SCHEMBL17215087 0.69 CYP1A2 (0.51) TOP2ATOP2BCYP1A2PARP10PARP11
SCHEMBL18551805 0.69 CYP1A2 (0.51) TOP2ATOP2BCYP1A2PARP10PARP11
SCHEMBL15070812 0.68 L3MBTL1 (0.57) TOP2ATOP2BCYP1A2PARP10PARP11
SCHEMBL23555381 0.67 PDGFRB (0.66) CYP1A2PDGFRAPDGFRBCLK4MAP4K4
SCHEMBL8370258 0.67 PDGFRB (0.66) CYP1A2PDGFRAPDGFRBCLK4MAP4K4
SCHEMBL7269315 0.67 PDE3B (0.49) PDGFRACLK4MAPK8CDK5CLK2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110244057-A1 COMBINATION THERAPIES WITH TOPIRAMATE FOR SEIZURES, RESTLESS LEGS SYNDROME, AND OTHER NEUROLOGICAL CONDITIONS EHRENBERG BRUCE L 2011-10-06 US disclosed
WO-2010036977-A2 COMBINATION THERAPIES WITH TOPIRAMATE FOR SEIZURES, RESTLESS LEGS SYNDROME, AND OTHER NEUROLOGICAL CONDITIONS NEW ENGLAND MEDICAL CENTER HOSPITALS, INC. (US) 2010-04-01 WO disclosed
US-RE39300-E1 Inhibiting the development of tolerance to and/or dependence on an addictive substance VIRGINIA COMMONWEALTH UNIVERSITY MEDICAL COLLEGE OF VIRGINIA (US) 2006-09-19 US disclosed
EP-0938305-B8 METHOD OF ALLEVIATING PAIN BY MEANS OF COMBINING TRAMADOL WITH AN NMDA ANTAGONIST ENDO PHARMACEUTICALS INC (US) 2005-10-19 EP disclosed
EP-0938305-B1 METHOD OF ALLEVIATING PAIN BY MEANS OF COMBINING TRAMADOL WITH AN NMDA ANTAGONIST ALGOS PHARM CORP (US) 2005-08-17 EP disclosed
EP-0942752-B1 ANTICONVULSANT CONTAINING COMPOSITION FOR TREATING NEUROPATHIC PAIN ALGOS PHARM CORP (US) 2005-04-20 EP disclosed
EP-0778770-B1 COMPOSITION ALLEVIATING PAIN, CONTAINING A NON-NARCOTIC ANALGESIC AND AN ANALGESIA ENHANCER UNIV VIRGINIA COMMONWEALTH (US) 2003-12-10 EP disclosed
US-6406716-B2 Anticonvulsant containing composition for treating neuropathic pain ENDO PHARMACEUTICALS INC. 2002-06-18 US disclosed
EP-1146905-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN Algos Pharmaceutical Corporation (US) 2001-10-24 EP disclosed
US-20010008889-A1 Anticonvulsant containing composition for treating neuropathic pain ENDO PHARMACEUTICALS INC. 2001-07-19 US disclosed
US-5654281-A Inhibiting the development of tolerance to and/or dependence on an addictive substance VIRGINIA COMMONWEALTH UNIVERSITY (US) 1997-08-05 US disclosed
EP-0778770-A1 COMPOSITION ALLEVIATING PAIN, CONTAINING A NON-NARCOTIC ANALGESIC AND AN ANALGESIA ENHANCER VIRGINIA COMMONWEALTH UNIVERSITY (US) 1997-06-18 EP disclosed
US-5556838-A BLOCKING N-METHYLASPARTATE RECEPTORS TO PREVENT ADDICTION VIRGINIA COMMONWEALTH UNIVERSITY (US) 1996-09-17 US disclosed
US-5502058-A Method for the treatment of pain VIRGINIA COMMONWEALTH UNIVERSITY (US) 1996-03-26 US disclosed
WO-1996007412-A1 COMPOSITION ALLEVIATING PAIN, CONTAINING A NON-NARCOTIC ANALGESIC AND AN ANALGESIA ENHANCER VIRGINIA COMMONWEALTH UNIVERSITY (US) 1996-03-14 WO disclosed
EP-0615749-A2 Use of NMDA antagonists for the treatment of pain VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-09-21 EP disclosed
EP-0365863-B1 Novel quinolyloxazole-2-ones useful as proteinkinase C inhibitors MERRELL DOW PHARMA (US) 1994-08-17 EP disclosed
EP-0608893-A1 Inhibiting the development of tolerance to and/or dependence on an additive substance VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-08-03 EP disclosed
US-5321012-A Inhibiting the development of tolerance to and/or dependence on a narcotic addictive substance VIRGINIA COMMONWEALTH UNIVERSITY MEDICAL COLLEGE (US) 1994-06-14 US disclosed
US-4990519-A Antiasthma, hypotensive agents, bronchodilator agents MERRELL DOW PHARMACEUTICALS (US) 1991-02-05 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 (1 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-20110244057-A1 COMBINATION THERAPIES WITH TOPIRAMATE FOR SEIZURES, RESTLESS LEGS SYNDROME, AND OTHER NEUROLOGICAL CONDITIONS CACNA1A, GRM2, GRIN2B TOP2A 2582/4885TOP2B 2471/4885CYP1A2 901/4885

“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.