SCHEMBL7442014

SCHEMBL7442014

O=C(NC(Cc1ccccc1)C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.74
NPC1 O15118 3/20 0.72
RAB9A P51151 3/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
TP53 P04637 1/20 0.72
CA1 P00915 2/20 0.64
PTPN1 P18031 2/20 0.64
TAAR1 Q96RJ0 1/20 0.58
ACE P12821 2/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KMT2A Q03164 2/20 0.57
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
BACE1 P56817 1/20 0.56
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54

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
SCHEMBL7442005 1.00 CA2 (0.74) CA2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4366751 0.91 CA2 (0.67) CA2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL27659000 0.91 CA2 (0.67) CA2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4364568 0.90 CA2 (0.65) CA2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL27679115 0.90 CA2 (0.65) CA2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL11921824 0.88 CA2 (0.77) CA2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6938746 0.88 CA2 (0.59) CA2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6850655 0.88 CA2 (0.59) CA2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL8588574 0.88 CA2 (0.59) CA2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL7971423 0.88 CA2 (0.59) CA2NPC1RAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112321678-A NMDA receptor modulators and prodrugs, salts and uses thereof 诺雷克斯股份有限公司 2021-02-05 CN disclosed
US-10590167-B2 NMDA receptor modulators and prodrugs, salts, and uses thereof NAUREX, INC. (US) 2020-03-17 US disclosed
EP-3564256-A1 NMDA RECEPTOR MODULATORS Naurex Inc. (US) 2019-11-06 EP disclosed
US-20180127466-A1 NMDA RECEPTOR MODULATORS AND PRODRUGS, SALTS, AND USES THEREOF NAUREX INC (US) 2018-05-10 US disclosed
US-20180127466-A1 NMDA RECEPTOR MODULATORS AND PRODRUGS, SALTS, AND USES THEREOF NAUREX INC (US) 2018-05-10 US disclosed
US-9745342-B2 NMDA receptor modulators and prodrugs, salts, and uses thereof NAUREX, INC. (US) 2017-08-29 US disclosed
US-9745342-B2 NMDA receptor modulators and prodrugs, salts, and uses thereof NAUREX, INC. (US) 2017-08-29 US disclosed
US-9745342-B2 NMDA receptor modulators and prodrugs, salts, and uses thereof NAUREX, INC. (US) 2017-08-29 US disclosed
EP-3062810-A1 NMDA RECEPTOR MODULATORS AND PRODRUGS, SALTS, AND USES THEREOF Naurex Inc. (US) 2016-09-07 EP disclosed
US-20160244485-A1 NMDA RECEPTOR MODULATORS AND PRODRUGS, SALTS, AND USES THEREOF NAUREX INC (US) 2016-08-25 US disclosed
US-20160244485-A1 NMDA RECEPTOR MODULATORS AND PRODRUGS, SALTS, AND USES THEREOF NAUREX INC (US) 2016-08-25 US disclosed
US-20160244485-A1 NMDA RECEPTOR MODULATORS AND PRODRUGS, SALTS, AND USES THEREOF NAUREX INC (US) 2016-08-25 US disclosed
WO-2015065891-A1 NMDA RECEPTOR MODULATORS AND PRODRUGS, SALTS, AND USES THEREOF NAUREX, INC. (US) 2015-05-07 WO disclosed
WO-2015065891-A1 NMDA RECEPTOR MODULATORS AND PRODRUGS, SALTS, AND USES THEREOF NAUREX, INC. (US) 2015-05-07 WO disclosed
EP-0628559-B1 Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF LILLY GMBH (DE) 2002-04-03 EP disclosed
US-5602136-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602137-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5571813-A Fused pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1996-11-05 US disclosed
EP-0628559-A1 Pyrimidine compounds and their use as pharmaceuticals Beiersdorf-Lilly GmbH (DE) 1994-12-14 EP 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-10590167-B2 NMDA receptor modulators and prodrugs, salts, and uses thereof GRIN1, GRIN3A, GRIN2A CA2 1859/4885NPC1 968/4885RAB9A 2193/4885
US-20180127466-A1 NMDA RECEPTOR MODULATORS AND PRODRUGS, SALTS, AND USES THEREOF GRIN1, GRIN3A, GRIN2A CA2 1859/4885NPC1 968/4885RAB9A 2193/4885
US-20160244485-A1 NMDA RECEPTOR MODULATORS AND PRODRUGS, SALTS, AND USES THEREOF GRIN1, GRIN2A, GRIN3A CA2 3439/4885NPC1 776/4885RAB9A 2346/4885

“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.