SCHEMBL5542316

SCHEMBL5542316

[O]c1cccc(Cc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 1/20 0.57
▸ IDH1 O75874 1/20 0.48
▸ PRSS1 P07477 1/20 0.47
▸ PRSS2 P07478 1/20 0.47
▸ PRSS3 P35030 1/20 0.47
▸ HNF4A P41235 1/20 0.46
▸ ACMSD Q8TDX5 1/20 0.43
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ PLA2G10 O15496 1/20 0.42
▸ PLA2G2A P14555 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ BCL2 P10415 1/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ MPO P05164 1/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ PTPN5 P54829 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ PTPN1 P18031 2/20 0.39
▸ PTPN2 P17706 1/20 0.39

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
SCHEMBL13971231 0.82 CALM1 (0.75) CALM1IDH1PRSS1PRSS2PRSS3
SCHEMBL7613502 0.82 CALM1 (0.75) CALM1IDH1PRSS1PRSS2PRSS3
SCHEMBL5539551 0.81 MAOA (0.56) LOXL2
Diphenylmethane SCHEMBL27940463 0.79 CALM1 (0.80) CALM1IDH1PRSS1PRSS2PRSS3
SCHEMBL5542870 0.77 HTR2A (0.48) DAO
SCHEMBL5544462 0.77 IGF1R (0.52) —
SCHEMBL5546299 0.77 CALM1 (0.67) CALM1IDH1HNF4APLA2G10PLA2G2A
SCHEMBL5542132 0.76 MAPT (0.52) —
SCHEMBL5537546 0.76 MAPT (0.52) —
Diphenylmethane SCHEMBL3792579 0.76 CALM1 (1.00) CALM1IDH1PLA2G10PLA2G2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053524-A A kind of preparation method of N-Boc-3- hydroxy azetidine 山东谛爱生物技术有限公司 2018-12-21 — — 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
US-6627714-B2 Copolymerizing ethylene and dicyclopentadiene or tricyclopentadiene, and cyclic olefin in presence of metallocene catalyst to produce copolymer MARUZEN PETROCHEMICAL CO., LTD. (JP) 2003-09-30 — — US disclosed
US-20020058767-A1 Method for producing an olefin type copolymer having a cyclic structure MARUZEN PETROCHEMICAL CO., LTD. (JP) 2002-05-16 — — US disclosed
EP-1205497-A2 Method for producing an olefin type copolymer having a cyclic structure MARUZEN PETROCHEMICAL CO., LTD. (JP) 2002-05-15 — — EP disclosed
EP-0234749-B1 HYDROGEL POLYMERS SMITH & NEPHEW plc (GB) 1992-09-09 — — EP disclosed
US-4749761-A FOR CONTACT LENSES-CROSSLINKED COPOLYMER OF N-VINYL-2-PYRROLIDONE AND ACRYLIC ESTER SMITH & NEPHEW ASSOCIATED COMPANIES P.L.C. (GB) 1988-06-07 — — US disclosed
EP-0234749-A2 Hydrogel polymers SMITH & NEPHEW plc (GB) 1987-09-02 — — 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 (1 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 CALM1 2859/4885IDH1 233/4885PRSS1 4815/4885

“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.

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