SCHEMBL499798

SCHEMBL499798

O=C(O)c1cc(O)c2ccc(SCl)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGFBP5 P24593 6/20 0.42
IGFBP3 P17936 6/20 0.42
ALOX15 P16050 2/20 0.38
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
IGFBP1 P08833 1/20 0.35
IGFBP2 P18065 1/20 0.35
IGFBP4 P22692 1/20 0.35
IGFBP6 P24592 1/20 0.35
MGAM O43451 1/20 0.34

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
SCHEMBL9340031 0.89 IGFBP3 (0.40) IGFBP5IGFBP3ALOX15TSHRHIF1A
SCHEMBL9340864 0.82 IGFBP5 (0.39) IGFBP5IGFBP3ALOX15TSHRMAPT
SCHEMBL9343878 0.82 ALOX15 (0.43) IGFBP5IGFBP3ALOX15KDM4EMAPT
7-Chlorokynurenic Acid SCHEMBL157187 0.81 IGFBP3 (0.47) IGFBP5IGFBP3HIF1A
7-Chlorokynurenic Acid SCHEMBL31238955 0.81 IGFBP3 (0.47) IGFBP5IGFBP3HIF1A
7-Chlorokynurenic Acid SCHEMBL29386783 0.81 IGFBP3 (0.47) IGFBP5IGFBP3HIF1A
SCHEMBL2905794 0.80 IGFBP5 (0.46) IGFBP5IGFBP3ALOX15TSHRHIF1A
7-Chlorokynurenic Acid SCHEMBL20770380 0.79 IGFBP3 (0.46) IGFBP5IGFBP3HIF1A
SCHEMBL2902980 0.79 ALOX15 (0.47) IGFBP5IGFBP3ALOX15TSHRHIF1A
Phencyclidine SCHEMBL9118919 0.78 SIGMAR1 (0.46) HIF1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333369-A1 Pharmaceutical Combination GRUENENTHAL GMBH (DE) 2017-11-23 US claimed
EP-2992877-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2016-03-09 EP claimed
US-20140309311-A1 Pharmaceutical Combination GRUENENTHAL GMBH (DE) 2014-10-16 US claimed
US-8586620-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-11-19 US claimed
EP-2582366-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2013-04-24 EP claimed
WO-2011157391-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2011-12-22 WO claimed
US-20110306674-A1 Pharmaceutical Combination GRUENENTHAL GMBH (DE) 2011-12-15 US claimed
JP-2011526251-A 2011-10-06 JP claimed
US-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2011-09-01 US claimed
EP-2310386-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2011-04-20 EP claimed
WO-2007017764-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS WITH DUAL NOS INHIBITORY ACTIVITY AND MUOPIOID AGONIST ACTIVITY NEURAXON, INC. (CA) 2007-02-15 WO claimed
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NEURAXON INC. (CA) 2006-11-16 US claimed
US-20060160776-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a cannabinoid agent for the treatment of central nervous system damage PHARMACIA CORPORATION 2006-07-20 US claimed
WO-2004105699-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CANNABINOID AGENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2004-12-09 WO claimed
WO-2004039371-A2 COMPOSITIONS OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF NEUROPATHIC PAIN PHARMACIA CORPORATION (US) 2004-05-13 WO claimed
US-20040082543-A1 Compositions of cyclooxygenase-2 selective inhibitors and NMDA receptor antagonists for the treatment or prevention of neuropathic pain PHARMACIA CORPORATION 2004-04-29 US claimed
WO-1995028081-A1 ADDRESSING BAIT AVERSION BY DISRUPTING ASSOCIATIVE LEARNING THE MEAT INDUSTRY RESEARCH INSTITUTE OF NEW ZEALAND INC. (NZ) 1995-10-26 WO claimed
EP-0486586-B1 KYNURENIC ACID DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FIDIA SPA (IT) 1994-06-08 EP claimed
EP-0486586-A1 KYNURENIC ACID DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. FIDIA SPA (IT) 1992-05-27 EP claimed
WO-1991001973-A1 KYNURENIC ACID DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FIDIA S.P.A. (IT) 1991-02-21 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 IGFBP5 1734/4885IGFBP3 2098/4885ALOX15 420/4885
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NOS2, NOS1, NOS3 IGFBP5 1734/4885IGFBP3 2098/4885ALOX15 420/4885
US-20060160776-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a cannabinoid agent for the treatment of central nervous system damage CNR2, CNR1, PTGS2 IGFBP5 3932/4885IGFBP3 3653/4885ALOX15 54/4885
US-20040082543-A1 Compositions of cyclooxygenase-2 selective inhibitors and NMDA receptor antagonists for the treatment or prevention of neuropathic pain GRIN2A, GRIN2B, GRIN3A IGFBP5 4693/4885IGFBP3 4734/4885ALOX15 161/4885
US-20110306674-A1 Pharmaceutical Combination GRIN3A, GRIN2B, GRIN2C IGFBP5 4675/4885IGFBP3 4520/4885ALOX15 1083/4885
US-20170333369-A1 Pharmaceutical Combination GRIN3A, GRIN2B, GRIN2C IGFBP5 4675/4885IGFBP3 4520/4885ALOX15 1083/4885
US-20140309311-A1 Pharmaceutical Combination GRIN3A, GRIN2B, GRIN2C IGFBP5 4675/4885IGFBP3 4520/4885ALOX15 1083/4885

“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.