SCHEMBL2332001

SCHEMBL2332001

COC(=O)c1cc2scnc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.67
CYP1A2 P05177 1/20 0.46
ABL1 P00519 14/20 0.44
SRC P12931 10/20 0.44
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 2/20 0.39
XDH P47989 1/20 0.39
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL1242544 0.84 DAO (0.59) DAOKDM4EGLAGAA
SCHEMBL24702448 0.82 DAO (0.71) DAOABL1SRCKDM4E
SCHEMBL1244760 0.80 DAO (1.00) DAOKDM4E
SCHEMBL21480306 0.79 KMT2A (0.51) DAOCYP1A2MAPK1KDM4E
SCHEMBL23146188 0.79 DAO (0.71) DAOKDM4E
SCHEMBL23146424 0.79 DAO (0.71) DAOKDM4E
SCHEMBL7681873 0.77 DAO (0.66) DAOCYP1A2ABL1SRCMAPK1
SCHEMBL21480281 0.77 RAB9A (0.59) DAOABL1
SCHEMBL21677369 0.76 DAO (0.67) DAOMAPK1KDM4EGAA
SCHEMBL21480414 0.76 DYRK1A (0.49) DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12168012-B2 NLRP3 inflammasome inhibitors NOVARTIS AG (CH) 2024-12-17 US disclosed
EP-3827008-B1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2024-07-31 EP disclosed
US-20210308140-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2021-10-07 US disclosed
EP-3827008-A1 NLRP3 INFLAMMASOME INHIBITORS Novartis AG (CH) 2021-06-02 EP disclosed
WO-2020021447-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2020-01-30 WO disclosed
US-20130196960-A1 Cannabinoid Receptor Agonists IRONWOOD PHARMACEUTICALS, INC. (US) 2013-08-01 US disclosed
US-20130196960-A1 Cannabinoid Receptor Agonists IRONWOOD PHARMACEUTICALS, INC. (US) 2013-08-01 US disclosed
US-20130196960-A1 Cannabinoid Receptor Agonists IRONWOOD PHARMACEUTICALS, INC. (US) 2013-08-01 US disclosed
WO-2011100324-A1 CANNABINOID RECEPTOR AGONISTS Ironwood Pharmaceuticals Inc. (US) 2011-08-18 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-12168012-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 DAO 4735/4885CYP1A2 678/4885ABL1 4042/4885
US-20130196960-A1 Cannabinoid Receptor Agonists CNR2, CNR1, GPR18 DAO 3817/4885CYP1A2 1696/4885ABL1 881/4885
US-20210308140-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 DAO 4720/4885CYP1A2 765/4885ABL1 4105/4885

“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.