SCHEMBL8050971

SCHEMBL8050971

Oc1ccc2nc(-c3ccncc3)oc2c1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.78
ESR2 Q92731 14/20 0.78
PIK3CB P42338 2/20 0.77
PIK3CA P42336 1/20 0.77
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
APP P05067 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL27090228 0.90 ESR1 (0.96) ESR1ESR2PIK3CBPIK3CANPC1
SCHEMBL2158317 0.88 ESR1 (1.00) ESR1ESR2PIK3CBPIK3CANPC1
SCHEMBL8034090 0.85 ESR1 (0.81) ESR1ESR2PIK3CBPIK3CANPC1
SCHEMBL17561646 0.82 ESR1 (0.81) ESR1ESR2NPC1RAB9AHSD17B10
SCHEMBL9114641 0.82 ESR1 (0.81) ESR1ESR2PIK3CBPIK3CANPC1
SCHEMBL2248809 0.82 ESR1 (0.81) ESR1ESR2PIK3CBPIK3CANPC1
SCHEMBL16894055 0.82 ESR1 (0.81) ESR1ESR2PIK3CBPIK3CANPC1
SCHEMBL8051382 0.81 KDM4E (0.70) ESR1ESR2PIK3CBPIK3CANPC1
SCHEMBL8740136 0.81 ESR1 (0.74) ESR1ESR2PIK3CBPIK3CANPC1
SCHEMBL30402334 0.81 KDM4E (0.70) ESR1ESR2PIK3CBPIK3CANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2886542-B1 Marker dyes for UV and short-wave excitation with high Stokes shift on the basis of benzoxazoles DYOMICS GMBH (DE) 2018-04-18 EP disclosed
EP-2886542-B1 Marker dyes for UV and short-wave excitation with high Stokes shift on the basis of benzoxazoles DYOMICS GMBH (DE) 2018-04-18 EP disclosed
US-9453010-B2 Marker dyes for UV and short wave excitation with high stokes shift based on benzoxazoles DYOMICS GMBH (DE) 2016-09-27 US disclosed
US-9453010-B2 Marker dyes for UV and short wave excitation with high stokes shift based on benzoxazoles DYOMICS GMBH (DE) 2016-09-27 US disclosed
US-9453010-B2 Marker dyes for UV and short wave excitation with high stokes shift based on benzoxazoles DYOMICS GMBH (DE) 2016-09-27 US disclosed
US-20150175591-A1 MARKER DYES FOR UV AND SHORT WAVE EXCITATION WITH HIGH STOKES SHIFT BASED ON BENZOXAZOLES DYOMICS GMBH (DE) 2015-06-25 US disclosed
US-20150175591-A1 MARKER DYES FOR UV AND SHORT WAVE EXCITATION WITH HIGH STOKES SHIFT BASED ON BENZOXAZOLES DYOMICS GMBH (DE) 2015-06-25 US disclosed
US-20150175591-A1 MARKER DYES FOR UV AND SHORT WAVE EXCITATION WITH HIGH STOKES SHIFT BASED ON BENZOXAZOLES DYOMICS GMBH (DE) 2015-06-25 US disclosed
EP-2886542-A1 Marker dyes for UV and short-wave excitation with high Stokes shift on the basis of benzoxazoles Dyomics GmbH (DE) 2015-06-24 EP disclosed
EP-2886542-A1 Marker dyes for UV and short-wave excitation with high Stokes shift on the basis of benzoxazoles Dyomics GmbH (DE) 2015-06-24 EP disclosed
US-6130217-A ANTITUMOR PFIZER INC (US) 2000-10-10 US disclosed
US-5648229-A DETECTION OF HYDROLYTIC ENZYMES BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1997-07-15 US disclosed
WO-1994022846-A1 COMPOUNDS ENHANCING ANTITUMOR ACTIVITY OF OTHER CYTOTOXIC AGENTS PFIZER INC. (US) 1994-10-13 WO disclosed
EP-0399409-A2 Fluorogene compounds and their use BEHRINGWERKE Aktiengesellschaft (DE) 1990-11-28 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-20150175591-A1 MARKER DYES FOR UV AND SHORT WAVE EXCITATION WITH HIGH STOKES SHIFT BASED ON BENZOXAZOLES NR2E3, H1-10, NR0B1 ESR1 466/4885ESR2 553/4885PIK3CB 4203/4885

“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.