SCHEMBL5429982

SCHEMBL5429982

COc1ccc(-c2nc3ccc(OC)cc3s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 11/20 0.83
GLA P06280 1/20 0.78
GAA P10253 1/20 0.78
SULT1A1 P50225 1/20 0.78
KDM4E B2RXH2 1/20 0.71
NPC1 O15118 1/20 0.71
PKM P14618 1/20 0.71
RAB9A P51151 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
SNCA P37840 1/20 0.67

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
SCHEMBL6984320 0.93 APP (0.72) APPGLAGAASULT1A1KDM4E
SCHEMBL26017584 0.92 APP (0.76) APPGLAGAASULT1A1SNCA
SCHEMBL1572797 0.91 APP (0.74) APPGLAGAASULT1A1KDM4E
SCHEMBL21752042 0.91 APP (0.74) APPGLAGAASULT1A1KDM4E
SCHEMBL12974045 0.91 APP (1.00) APPGLAGAASULT1A1KDM4E
SCHEMBL23766560 0.91 APP (0.74) APPGLAGAASULT1A1KDM4E
SCHEMBL4801119 0.91 SULT1A1 (0.84) APPGLAGAASULT1A1SMN1; SMN2
SCHEMBL1572680 0.91 APP (1.00) APPGLAGAASULT1A1
SCHEMBL13806279 0.91 APP (1.00) APPGLAGAASULT1A1
SCHEMBL1977100 0.91 APP (1.00) APPGLAGAASULT1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208066-A1 ER-beta-selective ligands BARLAAM BERNARD 2007-09-06 US disclosed
US-20070208066-A1 ER-beta-selective ligands BARLAAM BERNARD 2007-09-06 US disclosed
US-20070208066-A1 ER-beta-selective ligands BARLAAM BERNARD 2007-09-06 US disclosed
US-20060111408-A1 Therapeutic benzothiazole compounds BARLAAM BERNARD 2006-05-25 US disclosed
US-7045539-B2 Therapeutic benzoxazole compounds ASTRAZENECA AB (SE) 2006-05-16 US disclosed
US-20040102435-A1 Therapeutic compounds ASTRAZENECA AB (SE) 2004-05-27 US disclosed
EP-1345914-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
WO-2002051821-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-04 WO disclosed
EP-0483502-B1 High temperature resistant benzothiazol-groups containing polyarylether BASF AG (DE) 1995-11-22 EP disclosed
US-5227454-A HIGH TEMPERATURE RESISTANT, BENZOTHIAZOLE-CONTAINING POLYARYL ETHERS BASF AKTIENGESELLSCHAFT (DE) 1993-07-13 US disclosed
EP-0483502-A1 High temperature resistant benzothiazol-groups containing polyarylether BASF Aktiengesellschaft (DE) 1992-05-06 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 (3 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-20040102435-A1 Therapeutic compounds ESRRA, ESRRG, ESR2 APP 277/4885GLA 151/4885GAA 2669/4885
US-20070208066-A1 ER-beta-selective ligands ESR2, ESRRG, ESRRA APP 195/4885GLA 365/4885GAA 3422/4885
US-20060111408-A1 Therapeutic benzothiazole compounds ESR1, ESR2, ESRRG APP 277/4885GLA 788/4885GAA 3785/4885

“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.