SCHEMBL5512412

SCHEMBL5512412

Oc1noc2cc(Br)ccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.42
ESR2 Q92731 13/20 0.42
HSP90AA1 P07900 3/20 0.42
SCD5 Q86SK9 1/20 0.39
PIM1 P11309 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ACHE P22303 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.35
CES2 O00748 1/20 0.35
GALR3 O60755 1/20 0.35

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
SCHEMBL2708342 0.84 PIM1 (0.49) ESR1ESR2HSP90AA1PIM1KDM4E
SCHEMBL13244919 0.81 ESR1 (0.39) ESR1ESR2HSP90AA1SCD5PIM1
SCHEMBL2137945 0.79 ESR1 (0.61) ESR1ESR2HSP90AA1KDM4EALDH1A1
SCHEMBL1530408 0.76 BRD4 (0.45) ESR1ESR2KDM4EALDH1A1LMNA
SCHEMBL20393976 0.76 ACHE (0.39) ESR1ESR2HSP90AA1SCD5KDM4E
SCHEMBL1942334 0.76 IDO1 (0.46) ESR1ESR2HSP90AA1SCD5KDM4E
SCHEMBL1836503 0.76 ALDH1A1 (0.49) ESR1ESR2HSP90AA1ALDH1A1
SCHEMBL8290795 0.76 ESR1 (0.41) ESR1ESR2HSP90AA1
SCHEMBL5514251 0.76 ACHE (0.41) ESR1ESR2HSP90AA1ACHE
SCHEMBL1101176 0.76 ESR1 (0.45) ESR1ESR2HSP90AA1SMN1; SMN2ALOX15

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-11-23 US disclosed
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-11-23 US disclosed
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-11-23 US disclosed
EP-4221756-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2023-08-09 EP disclosed
WO-2022069520-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2022-04-07 WO disclosed
US-9980945-B2 Benzoisoxazole-substituted compounds as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2018-05-29 US disclosed
US-9980945-B2 Benzoisoxazole-substituted compounds as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2018-05-29 US disclosed
US-9980945-B2 Benzoisoxazole-substituted compounds as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2018-05-29 US disclosed
US-20180021312-A1 BENZOISOXAZOLE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2018-01-25 US disclosed
US-20180021312-A1 BENZOISOXAZOLE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2018-01-25 US disclosed
US-20070142372-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthritis GLAXOSMITHKLINE LLC 2007-06-21 US disclosed
US-20070054942-A1 Fused heteroaryl derivatives and their use as p38 kinase inhibitors GLAXOSMITHKLINE LLC 2007-03-08 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US disclosed
US-7166725-B2 Benzo[d]isoxazol-3-ol DAAO inhibitors SEPRACOR INC. (US) 2007-01-23 US disclosed
US-7166725-B2 Benzo[d]isoxazol-3-ol DAAO inhibitors SEPRACOR INC. (US) 2007-01-23 US disclosed
US-7166725-B2 Benzo[d]isoxazol-3-ol DAAO inhibitors SEPRACOR INC. (US) 2007-01-23 US disclosed
EP-1711478-A2 BENZO [D]ISOXAZOL-3-OL DAAO INHIBITORS Sepracor Inc. (US) 2006-10-18 EP disclosed
WO-2005066143-A2 BENZO[D]ISOXAZOL-3-OL DAAO INHIBITORS SEPRACOR INC. (US) 2005-07-21 WO disclosed
WO-2005066143-A2 BENZO[D]ISOXAZOL-3-OL DAAO INHIBITORS SEPRACOR INC. (US) 2005-07-21 WO disclosed
US-20050143434-A1 Benzo[d]isoxazol-3-ol DAAO inhibitors SEPRACOR INC. (US) 2005-06-30 US 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 (6 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-20180021312-A1 BENZOISOXAZOLE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION GRIK4, GRM4, GRM1 ESR1 987/4885ESR2 901/4885HSP90AA1 2799/4885
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF ESR1 4351/4885ESR2 3556/4885HSP90AA1 1203/4885
US-20050143434-A1 Benzo[d]isoxazol-3-ol DAAO inhibitors DDO, DAO, CACNA1S ESR1 2250/4885ESR2 3052/4885HSP90AA1 3107/4885
US-20070142372-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthritis CNKSR1, MAPK1, MAPK7 ESR1 4545/4885ESR2 2672/4885HSP90AA1 139/4885
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER RARA, RARG, RARB ESR1 2684/4885ESR2 1946/4885HSP90AA1 2522/4885
US-20070054942-A1 Fused heteroaryl derivatives and their use as p38 kinase inhibitors MAPK1, MAPK7, MAPKAPK2 ESR1 4288/4885ESR2 1843/4885HSP90AA1 144/4885

“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.