SCHEMBL5387246

SCHEMBL5387246

COc1cc(Br)cc2c1OCO2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.58
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.55
ACHE P22303 1/20 0.49
POLB P06746 3/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALKBH5 Q6P6C2 1/20 0.45
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.42
GSK3B P49841 2/20 0.42
ATR Q13535 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
SCHEMBL10025891 0.81 CYP3A4 (0.58) CYP3A4ALDH1A1SMN1; SMN2ACHEPOLB
SCHEMBL5383789 0.80 DHFR (0.50) CYP3A4ALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL7710239 0.79 CYP3A4 (0.58) CYP3A4ALDH1A1SMN1; SMN2ACHEPOLB
SCHEMBL5233561 0.79 CYP3A4 (0.57) CYP3A4ALDH1A1SMN1; SMN2ACHEPOLB
SCHEMBL4043528 0.79 ALDH1A1 (0.57) CYP3A4ALDH1A1SMN1; SMN2ACHEPOLB
SCHEMBL14337774 0.79 CYP3A4 (0.57) CYP3A4ALDH1A1SMN1; SMN2ACHEPOLB
SCHEMBL8144226 0.79 CYP3A4 (0.57) CYP3A4ALDH1A1SMN1; SMN2ACHEPOLB
SCHEMBL5381403 0.78 CYP3A4 (0.48) CYP3A4ALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL12781853 0.77 CYP3A4 (0.54) CYP3A4ALDH1A1SMN1; SMN2ACHEPOLB
SCHEMBL12118415 0.77 CYP3A4 (0.54) CYP3A4ALDH1A1SMN1; SMN2ACHEPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62084077-A None JP disclosed
US-12084456-B2 Isocarbostyril alkaloids and functionalization thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2024-09-10 US disclosed
US-20220064176-A1 ISOCARBOSTYRIL ALKALOIDS AND FUNCTIONALIZATION THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-03-03 US disclosed
WO-2020117894-A1 ISOCARBOSTYRIL ALKALOIDS AND FUNCTIONALIZATION THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-06-11 WO disclosed
EP-3640249-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2020-04-22 EP disclosed
CN-110583663-A Compounds of formula (I) and their use as herbicides 美国陶氏益农公司 2019-12-20 CN disclosed
US-9149038-B2 4-amino-6-(heterocyclic)picolinates and 6-amino-2-(heterocyclic)pyrimidine-4-carboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2015-10-06 US disclosed
US-20140274701-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-7312347-B2 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-25 US disclosed
US-7312347-B2 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-25 US disclosed
US-6545150-B2 Preparing 1,1-dioxo-2-phenyl-3-carboxy-4-phenyl-1,2-benzo(e)-thiazines by a five-step process starting with a (2-(methyl-oxycarbonyl-)phenyl-sulfonamido-)benzene; alkylation; cyclization; hydroxylation; esterification and coupling WARNER-LAMBERT COMPANY 2003-04-08 US disclosed
US-6440962-B2 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS WARNER-LAMBERT COMPANY 2002-08-27 US disclosed
US-20020094980-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation BUNKER AMY MAE (US) 2002-07-18 US disclosed
US-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation BUNKER AMY MAE (US) 2001-11-01 US disclosed
US-6265399-B1 ALKYLATION; CYCLIZATION WARNER-LAMBERT COMPANY 2001-07-24 US disclosed
US-6252070-B1 REACTING ARYL BROMIDE WITH BUTYLLITHIUM AND ZINC BROMIDE TO GIVE ARYL ZINC BROMIDE; REACTING WITH CORRESPONDING BENZOTHIAZINE COMPOUND WARNER-LAMBERT COMPANY 2001-06-26 US disclosed
EP-1009743-A1 CERTAIN BENZOTHIAZINE DIOXIDE ENDOTHELIN ANTAGONISTS AND PROCESSES FOR THEIR PREPARATION WARNER-LAMBERT COMPANY (US) 2000-06-21 EP disclosed
WO-1999012916-A1 CERTAIN BENZOTHIAZINE DIOXIDE ENDOTHELIN ANTAGONISTS AND PROCESSES FOR THEIR PREPARATION WARNER-LAMBERT COMPANY (US) 1999-03-18 WO disclosed
US-5003091-A Preparation of 3-memory-4,5-methylenedioxybenzaldehyde RHONE-POULENC CHIMIE (FR) 1991-03-26 US disclosed
JP-S6284077-A PRODUCTION OF BENZYL ALCOHOL COMPOUND MITSUBISHI CHEM IND LTD 1987-04-17 JP 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 (5 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-20220064176-A1 ISOCARBOSTYRIL ALKALOIDS AND FUNCTIONALIZATION THEREOF NISCH, CIAPIN1, CA7 CYP3A4 1056/4885ALDH1A1 1509/4885SMN1; SMN2 1380/4885
US-12084456-B2 Isocarbostyril alkaloids and functionalization thereof NISCH, CIAPIN1, CA7 CYP3A4 1056/4885ALDH1A1 1509/4885SMN1; SMN2 1380/4885
US-20020094980-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB CYP3A4 2670/4885ALDH1A1 1806/4885SMN1; SMN2 1432/4885
US-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB CYP3A4 2670/4885ALDH1A1 1806/4885SMN1; SMN2 1432/4885
US-20140274701-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DDT, ABAT, PAH CYP3A4 262/4885ALDH1A1 1287/4885SMN1; SMN2 4320/4885

“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.