SCHEMBL2159097

SCHEMBL2159097

Oc1ccc2nc(-c3ccccc3O)oc2c1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 18/20 0.79
ESR2 Q92731 18/20 0.79
KDM6B O15054 1/20 0.68
KDM6A O15550 1/20 0.68
TOP2A P11388 1/20 0.60

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
SCHEMBL1378442 0.88 ESR1 (1.00) ESR1ESR2KDM6BKDM6A
SCHEMBL1377482 0.88 ESR1 (1.00) ESR1ESR2KDM6BKDM6ATOP2A
SCHEMBL13866531 0.87 ESR1 (0.62) ESR1ESR2KDM6BKDM6ATOP2A
SCHEMBL1377423 0.87 ESR1 (0.78) ESR1ESR2KDM6BKDM6A
SCHEMBL13866517 0.86 TOP2A (0.62) ESR1ESR2KDM6BKDM6ATOP2A
SCHEMBL3932428 0.86 ESR1 (1.00) ESR1ESR2KDM6BKDM6ATOP2A
SCHEMBL1550348 0.85 TOP2A (0.79) ESR1ESR2KDM6BKDM6ATOP2A
SCHEMBL13866514 0.85 TOP2A (0.60) ESR1ESR2KDM6BKDM6ATOP2A
SCHEMBL9197515 0.84 ESR1 (0.68) ESR1ESR2KDM6BKDM6A
SCHEMBL802768 0.84 HSD17B10 (0.60) ESR1ESR2KDM6BKDM6ATOP2A

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
EP-2350032-B1 BENZOXAZOLE COMPOUNDS AND METHODS OF USE EISAI R&D MAN CO LTD (JP) 2016-05-25 EP disclosed
EP-2350032-B1 BENZOXAZOLE COMPOUNDS AND METHODS OF USE EISAI R&D MAN CO LTD (JP) 2016-05-25 EP disclosed
US-8354400-B2 Benzoxazole compounds and methods of use EISAI R&D CO., LTD. (JP) 2013-01-15 US disclosed
US-8354400-B2 Benzoxazole compounds and methods of use EISAI R&D CO., LTD. (JP) 2013-01-15 US disclosed
US-8354400-B2 Benzoxazole compounds and methods of use EISAI R&D CO., LTD. (JP) 2013-01-15 US disclosed
EP-2350032-A1 BENZOXAZOLE COMPOUNDS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2011-08-03 EP disclosed
US-20110183967-A1 BENZOXAZOLE COMPOUNDS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-28 US disclosed
US-20110183967-A1 BENZOXAZOLE COMPOUNDS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-28 US disclosed
US-20110183967-A1 BENZOXAZOLE COMPOUNDS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-28 US disclosed
WO-2010036905-A1 BENZOXAZOLE COMPOUNDS AND METHODS OF USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-04-01 WO disclosed
WO-2010036908-A1 USE OF BENZOXAZOLE COMPOUNDS IN THE TREATMENT OF MALARIA EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-04-01 WO disclosed
WO-2010036905-A1 BENZOXAZOLE COMPOUNDS AND METHODS OF USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-04-01 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-20110183967-A1 BENZOXAZOLE COMPOUNDS AND METHODS OF USE CYP4X1, CYP3A5, CYP3A7 ESR1 2407/4885ESR2 2935/4885KDM6B 893/4885

“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.