SCHEMBL19211396

SCHEMBL19211396

Cc1ccc(-n2cc(CO)nn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 1.00
KDM4E B2RXH2 1/20 0.70
MAPT P10636 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.69
P2RX7 Q99572 1/20 0.69
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
RXRA P19793 2/20 0.57
GRIN1 Q05586 2/20 0.57
GRIN2B Q13224 2/20 0.57

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
SCHEMBL20468184 0.84 NOTUM (0.72) NOTUMKDM4EMAPTL3MBTL1P2RX7
SCHEMBL30723667 0.84 NOTUM (0.72) NOTUMKDM4EMAPTL3MBTL1P2RX7
SCHEMBL17502287 0.82 NOTUM (1.00) NOTUMKDM4EMAPTL3MBTL1P2RX7
SCHEMBL20639902 0.82 NOTUM (0.70) NOTUMKDM4EMAPTL3MBTL1P2RX7
SCHEMBL19211395 0.82 NOTUM (0.70) NOTUMKDM4EMAPTL3MBTL1P2RX7
SCHEMBL17704937 0.82 NOTUM (0.70) NOTUMKDM4EMAPTL3MBTL1P2RX7
SCHEMBL13728552 0.82 NOTUM (0.70) NOTUMKDM4EMAPTL3MBTL1P2RX7
SCHEMBL31049690 0.82 NOTUM (0.70) NOTUMKDM4EMAPTL3MBTL1P2RX7
SCHEMBL27051679 0.82 NOTUM (0.70) NOTUML3MBTL1P2RX7CA12CA1
SCHEMBL2821461 0.81 NOTUM (1.00) NOTUMKDM4EMAPTL3MBTL1P2RX7

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
CN-116616291-A Peracetic acid disinfectant for endoscope disinfection and application 山东新华医疗器械股份有限公司 2023-08-22 CN claimed
CN-116616291-A Peracetic acid disinfectant for endoscope disinfection and application 山东新华医疗器械股份有限公司 2023-08-22 CN disclosed
CN-109071488-B Substituted 1,2, 3-triazoles as NR 2B-selective NMDA modulators 詹森药业有限公司 2021-08-13 CN disclosed
US-10766880-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators JANSSEN PHARMACEUTICA NV (BE) 2020-09-08 US disclosed
US-20190135791-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-05-09 US disclosed
US-10233173-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators JANSSEN PHARMACEUTICA NV (BE) 2019-03-19 US disclosed
EP-3414233-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS Janssen Pharmaceutica NV (BE) 2018-12-19 EP disclosed
WO-2017139428-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-17 WO disclosed
WO-2017139428-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-17 WO disclosed
US-20170226089-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-10 US disclosed
US-20170226089-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-10 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 (4 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-10766880-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators GRIN3A, GRIN3B, GRIN1 NOTUM 4764/4885KDM4E 3243/4885MAPT 736/4885
US-10233173-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators GRIN3A, GRIN3B, GRIN1 NOTUM 4764/4885KDM4E 3243/4885MAPT 736/4885
US-20170226089-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS GRIN3A, GRIN3B, GRIN1 NOTUM 4764/4885KDM4E 3243/4885MAPT 736/4885
US-20190135791-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS GRIN3A, GRIN3B, GRIN1 NOTUM 4764/4885KDM4E 3243/4885MAPT 736/4885

“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.