SCHEMBL5540567

SCHEMBL5540567

Cc1c(O)cnc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.55
KDM4E B2RXH2 3/20 0.47
GPR3 P46089 2/20 0.47
HTT P42858 3/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TOP2A P11388 1/20 0.41
CYP1A2 P05177 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 1/20 0.38
STAT3 P40763 1/20 0.38
PDE10A Q9Y233 1/20 0.38
RIPK2 O43353 1/20 0.37

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
SCHEMBL29661797 0.78 CCR1 (0.52) ERN1KDM4EGPR3TOP2ACYP1A2
SCHEMBL3156746 0.78 CCR1 (0.52) ERN1KDM4EGPR3TOP2ACYP1A2
SCHEMBL2927980 0.78 ERN1 (0.58) ERN1KDM4EGPR3HTTLMNA
SCHEMBL22744594 0.76 KDM4E (0.44) ERN1KDM4EGPR3HTTALDH1A1
SCHEMBL5537100 0.75 HTT (0.50) ERN1KDM4EGPR3HTTLMNA
SCHEMBL19044147 0.75 GPR3 (0.47) ERN1KDM4EGPR3TOP2ACYP1A2
SCHEMBL5540561 0.75 KDM4E (0.47) ERN1KDM4EGPR3HTTALDH1A1
SCHEMBL3151805 0.75 KDM4E (0.47) KDM4EGPR3HTTALDH1A1HPGD
SCHEMBL5517493 0.75 GPR3 (0.47) ERN1KDM4EGPR3TOP2ACYP1A2
SCHEMBL11295043 0.75 ERN1 (0.55) ERN1KDM4EGPR3LMNAALDH1A1

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-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
CN-117986220-A Method for preparing substituted chromanone derivative 杭州杜易科技有限公司 2024-05-07 CN disclosed
CN-114222734-B Method for preparing substituted chromanone derivative 杭州杜易科技有限公司 2023-12-08 CN disclosed
CN-114222734-A Method for preparing substituted chromanone derivative 杭州杜易科技有限公司 2022-03-22 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (2 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ERN1 912/4885KDM4E 4854/4885GPR3 80/4885
US-12037344-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD ERN1 1289/4885KDM4E 3888/4885GPR3 979/4885

“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.