SCHEMBL4448895

SCHEMBL4448895

Fc1ccc(-c2cc3ccccc3o2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.68
GABRP O00591 2/20 0.60
GABRD O14764 2/20 0.60
GABRA1 P14867 2/20 0.60
GABRB1 P18505 2/20 0.60
GABRG2 P18507 2/20 0.60
GABRB3 P28472 2/20 0.60
GABRA5 P31644 2/20 0.60
GABRA3 P34903 2/20 0.60
GABRA2 P47869 2/20 0.60
GABRB2 P47870 2/20 0.60
GABRA4 P48169 2/20 0.60
GABRE P78334 2/20 0.60
GABRA6 Q16445 2/20 0.60
GABRG1 Q8N1C3 2/20 0.60
GABRG3 Q99928 2/20 0.60
GABRQ Q9UN88 2/20 0.60
TNKS O95271 1/20 0.60
PARP1 P09874 1/20 0.60
TNKS2 Q9H2K2 1/20 0.60

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
SCHEMBL4659168 0.88 MAOB (0.78) MAOBALOX5CA1CA2CA9
SCHEMBL5768216 0.84 MAOB (0.72) MAOBGABRPGABRDGABRA1GABRB1
SCHEMBL731363 0.84 MAOB (0.71) MAOBGABRPGABRDGABRA1GABRB1
SCHEMBL31105656 0.84 MAOB (0.71) MAOBGABRPGABRDGABRA1GABRB1
SCHEMBL28088015 0.81 MAOB (0.65) MAOBGABRPGABRDGABRA1GABRB1
SCHEMBL29811226 0.81 MAOB (0.65) MAOBGABRPGABRDGABRA1GABRB1
SCHEMBL7125605 0.81 MAOB (0.68) MAOBALOX5CA1CA2CA9
SCHEMBL5032926 0.81 ESR1 (0.70) MAOBTNKSALOX5CA1CA2
SCHEMBL791728 0.81 MAOB (0.68) MAOBALOX5CA1CA2CA9
SCHEMBL1772762 0.81 MAOB (1.00) MAOBGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110386909-B Method for synthesizing benzofuran derivative through copper-free ligand-free palladium catalyst 中国科学院青岛生物能源与过程研究所 2023-07-07 CN disclosed
US-11033889-B2 Palladium acyclic diaminocarbene complexes as precatalysts for Hiyama coupling and the tandem one-pot fluoride free Hiyama coupling/cyclization for the synthesis of biologically relevant INDIAN INSTITUTE OF TECHNOLOGY BOMBAY (IN) 2021-06-15 US disclosed
US-11033889-B2 Palladium acyclic diaminocarbene complexes as precatalysts for Hiyama coupling and the tandem one-pot fluoride free Hiyama coupling/cyclization for the synthesis of biologically relevant INDIAN INSTITUTE OF TECHNOLOGY BOMBAY (IN) 2021-06-15 US disclosed
US-20200122132-A1 PALLADIUM ACYCLIC DIAMINOCARBENE COMPLEXES AS PRECATALYSTS FOR HIYAMA COUPLING AND THE TANDEM ONE-POT FLUORIDE FREE HIYAMA COUPLING/CYCLIZATION FOR THE SYNTHESIS OF BIOLOGICALLY RELEVANT INDIAN INSTITUTE OF TECHNOLOGY BOMBAY (IN) 2020-04-23 US disclosed
US-20200122132-A1 PALLADIUM ACYCLIC DIAMINOCARBENE COMPLEXES AS PRECATALYSTS FOR HIYAMA COUPLING AND THE TANDEM ONE-POT FLUORIDE FREE HIYAMA COUPLING/CYCLIZATION FOR THE SYNTHESIS OF BIOLOGICALLY RELEVANT INDIAN INSTITUTE OF TECHNOLOGY BOMBAY (IN) 2020-04-23 US disclosed
CN-110386909-A A method of benzofuran derivatives are synthesized by no copper catalysis of ligand-free palladium agent 中国科学院青岛生物能源与过程研究所 2019-10-29 CN disclosed
CN-108440515-A Substituted benzofuranyl and benzoxazole based compound and application thereof 卡尔约药物治疗公司 2018-08-24 CN disclosed
CN-108137497-A Bicyclic derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2018-06-08 CN disclosed
CN-108137563-A (S, E) -3- (6-aminopyridin-3-yl) -N- ((5- (4- (3-fluoro-3-methylpyrrolidine-l-carbonyl) phenyl) -7- (4-fluorophenyl) benzofuran-2-yl) methyl) acrylamide for the treatment of cancer 卡尔约药物治疗公司 2018-06-08 CN disclosed
CN-105492437-B Substituted benzofuranyl and benzoxazolyl compounds and uses thereof 卡尔约药物治疗公司 2018-05-11 CN disclosed
EP-1373259-A1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS Pfizer Products Inc. (US) 2004-01-02 EP disclosed
US-20030162784-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2003-08-28 US disclosed
US-6579879-B2 Pyridazinone aldose reductase inhibitors PFIZER INC 2003-06-17 US disclosed
WO-2002087584-A1 COMBINATIONS OF ALDOSE REDUCTASE INHIBITORS AND CYCLOOXYGENASE-2 INHIBITORS PFIZER PRODUCTS INC. (US) 2002-11-07 WO disclosed
WO-2002079198-A1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-10-10 WO disclosed
US-20020143017-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2002-10-03 US disclosed
US-4117128-A SULFONYL BENZOFURANS AND BENZOTHIOPHENES HAVING CORONARY VASODILATOR ACTIVITY SMITHKLINE CORPORATION (US) 1978-09-26 US disclosed
US-4024273-A Coronary vasodilator and anti-anginal compositions comprising substituted benzofurans and benzothiophenes and methods of producing coronary vasodilation and anti-anginal activity SMITHKLINE CORPORATION (US) 1977-05-17 US disclosed
US-3983245-A CORONARY VASODILATORS SMITHKLINE CORPORATION (US) 1976-09-28 US disclosed
US-3947470-A CORONARY VASODILATORS, TREATMENT OF ANGINA PECTORIS SMITHKLINE CORPORATION (US) 1976-03-30 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 (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-20200122132-A1 PALLADIUM ACYCLIC DIAMINOCARBENE COMPLEXES AS PRECATALYSTS FOR HIYAMA COUPLING AND THE TANDEM ONE-POT FLUORIDE FREE HIYAMA COUPLING/CYCLIZATION FOR THE SYNTHESIS OF BIOLOGICALLY RELEVANT PAICS, AOC1, FLI1 MAOB 351/4885GABRP 2755/4885GABRD 3571/4885
US-20030162784-A1 Pyridazinone aldose reductase inhibitors SLC5A1, ALDOA, AKR1B1 MAOB 132/4885GABRP 905/4885GABRD 1591/4885
US-20020143017-A1 Pyridazinone aldose reductase inhibitors SLC5A1, AKR1B1, AKR1D1 MAOB 176/4885GABRP 1442/4885GABRD 1466/4885
US-11033889-B2 Palladium acyclic diaminocarbene complexes as precatalysts for Hiyama coupling and the tandem one-pot fluoride free Hiyama coupling/cyclization for the synthesis of biologically relevant PAICS, AOC1, FLI1 MAOB 351/4885GABRP 2755/4885GABRD 3571/4885

“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.