SCHEMBL5425872

SCHEMBL5425872

Brc1conc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.47
HSP90AA1 P07900 1/20 0.46
ALOX15 P16050 1/20 0.43
PTGS1 P23219 2/20 0.42
MAPK1 P28482 4/20 0.42
TP53 P04637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL31367203 0.79 CASP3 (0.38) PTGS2L3MBTL1MEN1KMT2ALMNA
SCHEMBL3658890 0.78 HSP90AA1 (0.54) PTGS2HSP90AA1ALOX15PTGS1MAPK1
SCHEMBL1797330 0.76 PTGS2 (0.67) PTGS2HSP90AA1ALOX15PTGS1MAPK1
SCHEMBL27514872 0.74 PTGS2 (0.44) PTGS2HSP90AA1ALOX15PTGS1MAPK1
SCHEMBL27217198 0.74 PTGS2 (0.44) PTGS2HSP90AA1ALOX15PTGS1MAPK1
SCHEMBL27813684 0.74 PTGS2 (0.47) PTGS2HSP90AA1ALOX15PTGS1MAPK1
SCHEMBL1092219 0.74 CYP19A1 (0.53) PTGS2HSP90AA1ALOX15PTGS1MAPK1
SCHEMBL8306253 0.74 GABRA5 (0.42) PTGS2HSP90AA1ALOX15PTGS1MAPK1
SCHEMBL27473647 0.71 PTGS2 (0.60) PTGS2HSP90AA1PTGS1LMNATDP1
SCHEMBL5729643 0.70 HSP90AA1 (0.46) PTGS2HSP90AA1MAPK1TP53L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
EP-1675585-A2 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2006-07-05 EP disclosed
EP-1102755-B1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORP (US) 2006-01-04 EP disclosed
WO-2005037271-A2 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2005-04-28 WO disclosed
US-6869969-B2 Estrogen receptor modulators CHIRON CORPORATION (US) 2005-03-22 US disclosed
US-6743815-B2 OSTEOPOROSIS; ENDOMETRIOSIS; ALZHEIMER'S DISEASE CHIRON CORPORATION 2004-06-01 US disclosed
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors CHIRON CORPORATION 2004-05-27 US disclosed
US-20030065012-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2003-04-03 US disclosed
US-6387920-B2 ISOXAZOLE COMPOUNDS; FOR TREATING ESTROGEN RECEPTOR-MEDIATED DISORDERS SUCH AS OSTEOPOROSIS, BREAST AND ENDOMETRIAL CANCERS, ATHEROSCLEROSIS, ALZHEIMER'S DISEASE CHIRON CORPORATION 2002-05-14 US disclosed
US-20010036956-A1 Estrogen receptor modulators HUEBNER VERENA D (US) 2001-11-01 US disclosed
US-6262098-B1 ISOXAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-07-17 US disclosed
EP-1102755-A1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
WO-2000008001-A1 SUBSTITUTED ISOXAZOLE AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 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 (4 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-20010036956-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 PTGS2 728/4885HSP90AA1 2660/4885ALOX15 726/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 PTGS2 728/4885HSP90AA1 2660/4885ALOX15 726/4885
US-20070060629-A1 Large conductance calcium-activated k channel opener KCNN3, KCNN1, KCNN2 PTGS2 594/4885HSP90AA1 4029/4885ALOX15 1825/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 PTGS2 515/4885HSP90AA1 2570/4885ALOX15 285/4885

“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.