SCHEMBL4468622

SCHEMBL4468622

COc1ccc(-c2nc3cc(OC)cc(C#N)c3o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.58
ESR2 Q92731 3/20 0.58
RAB9A P51151 12/20 0.48
NPC1 O15118 11/20 0.48
KDM4E B2RXH2 9/20 0.48
GAA P10253 7/20 0.48
ALDH1A1 P00352 8/20 0.47
MAPT P10636 7/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 5/20 0.47
APP P05067 1/20 0.46
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 7/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
TP53 P04637 2/20 0.44
NFKB1 P19838 1/20 0.42

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
SCHEMBL4464248 0.80 HDAC6 (0.56) ESR1ESR2RAB9ANPC1KDM4E
SCHEMBL5418241 0.79 APP (0.49) ESR1ESR2RAB9ANPC1KDM4E
SCHEMBL5421354 0.79 APP (0.49) ESR1ESR2RAB9ANPC1KDM4E
SCHEMBL4478313 0.77 ESR1 (0.59) ESR1ESR2RAB9ANPC1KDM4E
SCHEMBL4468663 0.76 ESR2 (0.58) ESR1ESR2RAB9ANPC1KDM4E
SCHEMBL4464612 0.76 ESR2 (0.59) ESR1ESR2RAB9ANPC1KDM4E
SCHEMBL4470101 0.76 ESR2 (0.58) ESR1ESR2RAB9ANPC1KDM4E
SCHEMBL4473521 0.76 ESR1 (0.58) ESR1ESR2RAB9ANPC1KDM4E
SCHEMBL4463948 0.75 ESR2 (0.47) ESR1ESR2RAB9ANPC1KDM4E
SCHEMBL3926452 0.73 ESR2 (1.00) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531564-B2 Substituted benzoxazoles as estrogenic agents WYETH (US) 2009-05-12 US disclosed
EP-1982713-A2 Substituted benzoxazoles and analogues as estrogenic agents Wyeth (US) 2008-10-22 EP disclosed
US-20080255057-A1 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS WYETH (US) 2008-10-16 US disclosed
US-20070208066-A1 ER-beta-selective ligands BARLAAM BERNARD 2007-09-06 US disclosed
US-20070167503-A1 Substituted benzoxazoles as estrogenic agents WYETH (US) 2007-07-19 US disclosed
EP-1781628-A2 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS Wyeth a Corporation of the State of Delaware (US) 2007-05-09 EP disclosed
US-7148247-B2 Substituted benzoxazoles as estrogenic agents WYETH (US) 2006-12-12 US disclosed
US-7129258-B2 Substituted benzoxazoles as estrogenic agents WYETH (US) 2006-10-31 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-20060046968-A1 Prodrug substituted benzoxazoles as estrogenic agents WYETH (US) 2006-03-02 US disclosed
US-20050239851-A1 Substituted benzoxazoles as estrogenic agents WYETH (US) 2005-10-27 US disclosed
US-20050080117-A1 Substituted benzoxazoles as estrogenic agents WYETH (US) 2005-04-14 US disclosed
US-6794403-B2 FOR TREATING OR INHIBITING INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, ULCERATIVE PROCTITIS OR COLITIS PROSTATIC HYPERTROPHY, UTERINE LEIOMYOMAS, BREAST CANCER, ENDOMETRIAL CANCER, CARDIOVASCULAR DISEASE, ALZHEIMER'S DISEASE WYETH 2004-09-21 US disclosed
EP-1451165-A1 SUBSTITUTED BENZOXAZOLES AND ANALOGUES AS ESTROGENIC AGENTS Wyeth (US) 2004-09-01 EP disclosed
US-20040102435-A1 Therapeutic compounds ASTRAZENECA AB (SE) 2004-05-27 US disclosed
US-20030199562-A1 Substituted benzoxazoles as estrogenic agents WYETH 2003-10-23 US disclosed
EP-1345914-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
WO-2003050095-A1 SUBSTITUTED BENZOXAZOLES AND ANALOGUES AS ESTROGENIC AGENTS WYETH (US) 2003-06-19 WO disclosed
WO-2002051821-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-04 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 (9 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-20080255057-A1 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS ESR1, CYP19A1, ESR2 ESR1 1/4885ESR2 3/4885RAB9A 2914/4885
US-20050239851-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR1 1/4885ESR2 2/4885RAB9A 3309/4885
US-20050080117-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR1 1/4885ESR2 2/4885RAB9A 3309/4885
US-20040102435-A1 Therapeutic compounds ESRRA, ESRRG, ESR2 ESR1 6/4885ESR2 3/4885RAB9A 1349/4885
US-20030199562-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR1 1/4885ESR2 2/4885RAB9A 2494/4885
US-20070167503-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR1 1/4885ESR2 2/4885RAB9A 3309/4885
US-20070208066-A1 ER-beta-selective ligands ESR2, ESRRG, ESRRA ESR1 5/4885ESR2 1/4885RAB9A 1262/4885
US-20060046968-A1 Prodrug substituted benzoxazoles as estrogenic agents ESR1, CYP19A1, ESR2 ESR1 1/4885ESR2 3/4885RAB9A 2914/4885
US-20060111408-A1 Therapeutic benzothiazole compounds ESR1, ESR2, ESRRG ESR1 1/4885ESR2 2/4885RAB9A 1897/4885

“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.