SCHEMBL2454070

SCHEMBL2454070

CCCCOc1ccnc(CO)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.46
CYP3A4 P08684 5/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LNPEP Q9UIQ6 1/20 0.44
LTA4H P09960 3/20 0.43
NR5A1 Q13285 1/20 0.43
CYP19A1 P11511 8/20 0.42
CYP2C9 P11712 8/20 0.42
CYP2C19 P33261 8/20 0.42
CYP1A2 P05177 7/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL29380253 0.91 KMT2A (0.42) CYP3A4MEN1NPC1ALDH1A1GAA
SCHEMBL9669619 0.91 KMT2A (0.42) CYP3A4MEN1NPC1ALDH1A1GAA
SCHEMBL8500796 0.85 LNPEP (0.50) CYP2D6MEN1ALDH1A1GAAKMT2A
SCHEMBL8502419 0.85 LNPEP (0.47) CYP2D6ALDH1A1GAALNPEPCYP2C19
SCHEMBL5657197 0.84 NOTUM (0.48) CYP3A4MEN1NPC1ALDH1A1RAB9A
SCHEMBL26462412 0.83 NCF1 (0.46) MEN1ALDH1A1MAPTKMT2ALNPEP
SCHEMBL23554280 0.83 NOS2 (0.44) LNPEP
SCHEMBL29550059 0.83 NOS2 (0.44) LNPEP
SCHEMBL13097218 0.79 LNPEP (0.43) CYP2D6LNPEP
SCHEMBL6376429 0.79 MAOB (0.47) CYP2D6LNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12065409-B2 Analogs of 2-pralidoxime as antidotes against organophosphorus nerve agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2024-08-20 US disclosed
US-20210317084-A1 Analogs of 2-Pralidoxime as Antidotes Against Organophosphorus Nerve Agents UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2021-10-14 US disclosed
WO-2020027905-A2 ANALOGS OF 2-PRALIDOXIME AS ANTIDOTES AGAINST ORGANOPHOSPHORUS NERVE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-02-06 WO disclosed
EP-2646436-B1 MONOBACTAMS PFIZER (US) 2015-05-27 EP disclosed
EP-2010535-B1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2012-07-11 EP disclosed
WO-2012073138-A1 MONOBACTAMS PFIZER INC. (US) 2012-06-07 WO disclosed
US-8026244-B2 Thioxanthine derivatives and their use as inhibitors of MPO ASTRAZENECA AB (SE) 2011-09-27 US disclosed
CN-101466712-A Thioxanthine derivatives and their use as inhibitors of mpo ASTRAZENECA AB (SE) 2009-06-24 CN disclosed
US-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-06-11 US disclosed
EP-2010535-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120098-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2007-10-25 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 (3 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-20210317084-A1 Analogs of 2-Pralidoxime as Antidotes Against Organophosphorus Nerve Agents ACHE, DDT, BCHE CYP2D6 186/4885CYP3A4 408/4885MEN1 625/4885
US-12065409-B2 Analogs of 2-pralidoxime as antidotes against organophosphorus nerve agents ACHE, DDT, BCHE CYP2D6 186/4885CYP3A4 408/4885MEN1 625/4885
US-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX CYP2D6 1015/4885CYP3A4 1227/4885MEN1 3282/4885

“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.