SCHEMBL1557585

SCHEMBL1557585

OCc1cn(-c2ccc(Br)cn2)nn1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 16/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
P2RX7 Q99572 2/20 0.44
ROCK1 Q13464 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44

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
SCHEMBL13430007 0.84 P2RX7 (0.42) P2RX7
SCHEMBL13430047 0.84 NOTUM (0.43) NOTUMP2RX7
SCHEMBL13430013 0.81 P2RX7 (0.40) P2RX7
SCHEMBL20639902 0.77 NOTUM (0.70) NOTUML3MBTL1KDM4EMAPTP2RX7
SCHEMBL13429783 0.76 GRIN1 (0.45) P2RX7
SCHEMBL13430089 0.76 BRD4 (0.39) NOTUMKDM4EMAPTP2RX7
SCHEMBL13429988 0.76 P2RX7 (0.48) P2RX7
SCHEMBL27163069 0.74 NOTUM (0.60) NOTUML3MBTL1KDM4EMAPTP2RX7
SCHEMBL15578550 0.74 KDM4E (0.53) NOTUMKDM4EP2RX7
SCHEMBL20574715 0.74 RAB9A (0.49) NOTUML3MBTL1KDM4EMAPTP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
CN-108779094-B Metalloenzyme inhibitor compounds NQP 1598公司 2021-11-16 CN disclosed
US-20210121449-A1 NOVEL OXAZOLIDINONE DERIVATIVES DONG A ST CO LTD (KR) 2021-04-29 US disclosed
US-20200078345-A1 NOVEL OXAZOLIDINONE DERIVATIVES DONG A ST CO LTD (KR) 2020-03-12 US disclosed
US-10464922-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (US) 2019-11-05 US disclosed
US-10464922-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (US) 2019-11-05 US disclosed
US-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2019-01-17 US disclosed
US-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2019-01-17 US disclosed
US-20180344716-A1 NOVEL OXAZOLIDINONE DERIVATIVES DONG A ST CO LTD (KR) 2018-12-06 US disclosed
US-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS GORDEEV MIKHAIL FEDOROVICH 2010-03-18 US disclosed
US-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS GORDEEV MIKHAIL FEDOROVICH 2010-03-18 US disclosed
EP-2134721-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS Micurx Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
US-20090192197-A1 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes Torezolid phosphate DONG-A PHARM. CO., LTD. (KR) 2009-07-30 US disclosed
WO-2008108988-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2008-09-12 WO disclosed
EP-1699784-A4 NOVEL OXAZOLIDINONE DERIVATIVES DONG A PHARM CO LTD (KR) 2008-09-03 EP disclosed
US-20070155798-A1 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes torezolid phosphate DONG-A PHARM. CO., LTD. 2007-07-05 US disclosed
CN-1894242-A Novel oxazolidinone derivatives DONG A PHARM CO LTD (KR) 2007-01-10 CN disclosed
EP-1699784-A1 NOVEL OXAZOLIDINONE DERIVATIVES Dong-A Pharmaceutical Co., Ltd. (KR) 2006-09-13 EP disclosed
WO-2005058886-A1 NOVEL OXAZOLIDINONE DERIVATIVES DONG-A PHARM.CO.,LTD. (KR) 2005-06-30 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 (8 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-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS IDO1, IDO2, INMT NOTUM 3300/4885L3MBTL1 3059/4885KDM4E 3464/4885
US-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO NOTUM 1126/4885L3MBTL1 1568/4885KDM4E 3322/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO NOTUM 1126/4885L3MBTL1 1568/4885KDM4E 3322/4885
US-20210121449-A1 NOVEL OXAZOLIDINONE DERIVATIVES ALPI, OXA1L, SI NOTUM 1253/4885L3MBTL1 2599/4885KDM4E 2360/4885
US-20070155798-A1 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes torezolid phosphate ALPI, SI, TST NOTUM 1802/4885L3MBTL1 2223/4885KDM4E 950/4885
US-20200078345-A1 NOVEL OXAZOLIDINONE DERIVATIVES ALPI, OXA1L, SI NOTUM 1253/4885L3MBTL1 2599/4885KDM4E 2360/4885
US-20090192197-A1 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes Torezolid phosphate ALPI, TPI1, SI NOTUM 1886/4885L3MBTL1 3352/4885KDM4E 2578/4885
US-20180344716-A1 NOVEL OXAZOLIDINONE DERIVATIVES ALPI, OXA1L, SI NOTUM 1253/4885L3MBTL1 2599/4885KDM4E 2360/4885

“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.