SCHEMBL1430689

SCHEMBL1430689

NC(Cc1nc2cc(Cl)ccc2n1CP(=O)(O)O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL499964 1.00 MEN1 (0.46) MEN1ALDH1A1CYP1A2CYP2C9HPGD
Hydrochloric Acid SCHEMBL4889627 0.99 MEN1 (0.45) MEN1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL8779971 0.91 MEN1 (0.46) MEN1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL8779858 0.86
SCHEMBL8779876 0.86
SCHEMBL29496156 0.84 KMO (0.44) MEN1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL8779888 0.83 APEX1 (0.44)
SCHEMBL8779864 0.83 APEX1 (0.44)
SCHEMBL8779882 0.81 GGPS1 (0.43)
Propionic Acid SCHEMBL25431974 0.74 BACE1 (0.51) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100316678-A1 COMBINATION METHODS AND COMPOSITIONS FOR TREATMENT OF NEUROPATHIC PAIN CNSBIO PTY LTD. (AU) 2010-12-16 US claimed
EP-2175886-A1 COMBINATION METHODS AND COMPOSITIONS FOR TREATMENT OF NEUROPATHIC PAIN CNSBio Pty Ltd (AU) 2010-04-21 EP claimed
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-25 US claimed
EP-2081600-A1 COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-07-29 EP claimed
WO-2009000038-A1 COMBINATION METHODS AND COMPOSITIONS FOR TREATMENT OF NEUROPATHIC PAIN CNSBIO PTY LTD (AU) 2008-12-31 WO claimed
WO-2008034815-A1 COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-27 WO claimed
EP-1902733-A1 Combination of a NMDA-receptor ligand and a compound with 5-HT6 receptor affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-26 EP claimed
US-9579299-B2 CNS pharmaceutical compositions and methods of use TARGIA PHARMACEUTICALS (IL) 2017-02-28 US disclosed
WO-2016027259-A1 CNS PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE TARGIA PHARMACEUTICALS (IL) 2016-02-25 WO disclosed
US-20140256709-A1 CNS PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE TARGIA PHARMACEUTICALS (IL) 2014-09-11 US disclosed
US-20140194514-A1 TOPICAL FORMULATIONS TARAXOS INC. (US) 2014-07-10 US disclosed
US-8729070-B2 CNS pharmaceutical compositions and methods of use TARGIA PHARMACEUTICALS (IL) 2014-05-20 US disclosed
US-20130209585-A1 Topical NMDA Antagonist Formulations for the Treatment of Peripheral Neuropathy KIM STANLEY (US) 2013-08-15 US disclosed
US-20030082214-A1 Topical compositions and methods for treating pain DISCOVER GROWTH FUND, LLC (VI) 2003-05-01 US disclosed
WO-2003034900-A2 STERILE, BREATHABLE PATCH FOR TREATING WOUND PAIN EPICEPT CORPORATION (US) 2003-05-01 WO disclosed
WO-2003015699-A2 TOPICAL COMPOSITIONS AND METHODS FOR TREATING PAIN EPICEPT CORPORATION (US) 2003-02-27 WO disclosed
EP-0879238-B1 BENZIMIDAZOLE PHOSPHONO-AMINO ACIDS AMERICAN HOME PROD (US) 2001-11-14 EP disclosed
US-5864040-A Benzimidazole phosphono-amino acids AMERICAN HOME PRODUCTS CORPORATION (US) 1999-01-26 US disclosed
EP-0879238-A1 BENZIMIDAZOLE PHOSPHONO-AMINO ACIDS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-11-25 EP disclosed
WO-1997025335-A1 BENZIMIDAZOLE PHOSPHONO-AMINO ACIDS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-07-17 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 (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-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity GRM6, GRIN3B, GRIN3A MEN1 1091/4885ALDH1A1 3257/4885CYP1A2 4406/4885

“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.