SCHEMBL310343

SCHEMBL310343

O=c1nc(-c2ccc(O)cc2)oc2cccc(O)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.55
MAPT P10636 3/20 0.55
AR P10275 3/20 0.55
MEN1 O00255 2/20 0.55
MAPK1 P28482 2/20 0.55
KMT2A Q03164 2/20 0.55
RAF1 P04049 1/20 0.55
HPGD P15428 1/20 0.55
PTGES O14684 1/20 0.50
ESR1 P03372 5/20 0.49
ESR2 Q92731 5/20 0.49
BCHE P06276 3/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HSPD1 P10809 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN5 P54829 1/20 0.44
HSPE1 P61604 1/20 0.44
HTR2B P41595 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL311688 0.79 NPC1 (0.54) CYP3A4MAPTMEN1MAPK1KMT2A
SCHEMBL311429 0.78 MAOA (0.46) CYP3A4MAPTARMEN1MAPK1
SCHEMBL313298 0.74 ESR1 (0.61) CYP3A4MAPTMEN1MAPK1KMT2A
SCHEMBL311263 0.74 ESR1 (0.61) CYP3A4MAPTMEN1KMT2AHPGD
SCHEMBL418564 0.73 BCHE (0.73) MAPTMEN1KMT2AHPGDESR1
SCHEMBL16383496 0.72 TOP2A (0.54) MAPTHPGDESR1ESR2BCHE
SCHEMBL27602613 0.71 BCHE (0.71) MAPTMEN1KMT2AHPGDESR1
SCHEMBL27968982 0.71 BCHE (0.71) MAPTMEN1KMT2AHPGDESR1
SCHEMBL27929209 0.71 BCHE (0.71) MAPTMEN1KMT2AHPGDESR1
SCHEMBL157490 0.71 AR (1.00) CYP3A4MAPTARMEN1MAPK1

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
US-20220218677-A1 ARYLQUINOZILINE DERIVATIVES AS ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2022-07-14 US claimed
US-20070293527-A9 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ORION CORPORATION (FI) 2007-12-20 US claimed
US-20060094740-A1 Polycyclic compounds as potent alpha2-adrenoceptor antagonists DIN BELLE DAVID 2006-05-04 US claimed
US-20220218695-A1 COMBINATION OF AN ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2022-07-14 US disclosed
US-20220218677-A1 ARYLQUINOZILINE DERIVATIVES AS ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2022-07-14 US disclosed
US-8242130-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-08-14 US disclosed
EP-1838296-B1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP (CA) 2012-08-08 EP disclosed
US-8093273-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-01-10 US disclosed
EP-2332527-A2 Flavanoids and Isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2011-06-15 EP disclosed
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2009-10-15 US disclosed
EP-1838296-A2 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2007-10-03 EP disclosed
EP-1490361-B1 POLYCYCLIC COMPOUNDS AS POTENT ALPHA2-ADRENOCEPTOR ANTAGONISTS ORION CORP (FI) 2007-10-03 EP disclosed
US-20060205767-A1 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases HEPALINK (HONG KONG) LIMITED (HK) 2006-09-14 US disclosed
WO-2006045096-A2 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2006-04-27 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 (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-20060094740-A1 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ADRB2, ADRA2A, ADRB1 CYP3A4 1728/4885MAPT 1809/4885AR 153/4885
US-20060205767-A1 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases APOB, APOL1, FABP3 CYP3A4 1730/4885MAPT 2914/4885AR 2406/4885
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 CYP3A4 1730/4885MAPT 2914/4885AR 2406/4885
US-20220218695-A1 COMBINATION OF AN ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA ADRA2C, ADRB2, CHRNA1 CYP3A4 722/4885MAPT 4658/4885AR 4019/4885
US-20220218677-A1 ARYLQUINOZILINE DERIVATIVES AS ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA ADRA2C, ADRB2, ADRA2A CYP3A4 313/4885MAPT 4733/4885AR 1905/4885
US-20070293527-A9 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ADRB2, ADRA2A, ADRB1 CYP3A4 1728/4885MAPT 1809/4885AR 153/4885

“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.