SCHEMBL2094645

SCHEMBL2094645

[CH2]/C=C/c1ccc2c(c1)OCCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
CYP3A4 P08684 1/20 0.52
ATM Q13315 1/20 0.52
RAB9A P51151 7/20 0.51
MAPT P10636 5/20 0.51
NPC1 O15118 4/20 0.51
NPSR1 Q6W5P4 1/20 0.50
CXCL12 P48061 1/20 0.49
CYP19A1 P11511 2/20 0.49
DYRK1A Q13627 1/20 0.47
DYRK2 Q92630 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
GSK3B P49841 1/20 0.45
MTOR P42345 1/20 0.45
VCP P55072 1/20 0.45
KMT2A Q03164 2/20 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
SCHEMBL2094647 1.00 KDM4E (0.59) KDM4ECYP3A4ATMRAB9AMAPT
SCHEMBL2087783 0.88 CYP3A4 (0.67) KDM4ECYP3A4ATMRAB9AMAPT
SCHEMBL2087784 0.88 CYP3A4 (0.67) KDM4ECYP3A4ATMRAB9AMAPT
SCHEMBL7229899 0.80 KDM4E (0.59) KDM4ECYP3A4ATMRAB9AMAPT
SCHEMBL16639866 0.79 KDM4E (0.53) KDM4ECYP3A4ATMRAB9AMAPT
SCHEMBL3775431 0.79 KDM4E (0.53) KDM4ECYP3A4ATMRAB9AMAPT
SCHEMBL11486125 0.77 KDM4E (0.60) KDM4ECYP3A4ATMRAB9AMAPT
SCHEMBL30837170 0.77 KDM4E (0.60) KDM4ECYP3A4ATMRAB9AMAPT
SCHEMBL11486121 0.77 KDM4E (0.60) KDM4ECYP3A4ATMRAB9AMAPT
SCHEMBL11480398 0.76 KDM4E (0.58) KDM4ECYP3A4ATMRAB9AMAPT

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
CN-112939778-B Coumarin compound ester derivatives, preparation method and application thereof 西北农林科技大学 2022-08-02 CN claimed
CN-112939778-A Coumarin compound ester derivatives, preparation method and application thereof 西北农林科技大学 2021-06-11 CN claimed
CN-112939778-B Coumarin compound ester derivatives, preparation method and application thereof 西北农林科技大学 2022-08-02 CN disclosed
CN-112939778-A Coumarin compound ester derivatives, preparation method and application thereof 西北农林科技大学 2021-06-11 CN disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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 (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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 KDM4E 4578/4885CYP3A4 1734/4885ATM 4071/4885

“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.