SCHEMBL1407249

SCHEMBL1407249

COc1ccc(-c2n[nH]c3c(C(F)(F)F)cccc23)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP2E1 P05181 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP4B1 P13584 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP3A5 P20815 1/20 0.43
CYP2A7 P20853 1/20 0.43
CYP3A7 P24462 1/20 0.43
CYP2F1 P24903 1/20 0.43
CYP2C18 P33260 1/20 0.43
CYP2J2 P51589 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4F8 P98187 1/20 0.43
CYP4A11 Q02928 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
SCHEMBL1407566 0.88 DRD1 (0.39) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL1407660 0.84 CYP1A1 (0.46) CYP1A2CYP3A4CYP2C19CYP2D6CYP1A1
SCHEMBL1407136 0.82 MEN1 (0.44) MEN1KMT2AMAPTCNR1CNR2
SCHEMBL1407747 0.81 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19CYP2D6CYP1A1
SCHEMBL6276262 0.75 ALDH1A1 (0.37) CYP1A2CYP3A4CYP2C19CYP2D6CYP1A1
SCHEMBL28466675 0.74 PDE4A (0.61) CYP3A4CYP2C19CYP2C9GAAMAPK1
SCHEMBL4029988 0.73 ESR1 (0.61) CYP1A2CYP3A4CYP2C19CYP2D6CYP1A1
SCHEMBL1407678 0.72 PRKAB2 (0.44) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL29818665 0.72 PDE4A (0.59) CYP3A4CYP2C19CYP2C9GAAMAPK1
SCHEMBL4027158 0.70 ESR1 (0.45) CYP1A2CYP3A4CYP2C19CYP2D6CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295429-A1 3-((hetero)aryl)-indazoles as Liver X receptor (LXR) and Th-1 inhibitors for the treatment of cardiovascular diseases Wyeth LLC (US) 2011-03-16 EP claimed
EP-2295429-A1 3-((hetero)aryl)-indazoles as Liver X receptor (LXR) and Th-1 inhibitors for the treatment of cardiovascular diseases Wyeth LLC (US) 2011-03-16 EP disclosed
US-7601847-B2 Via lithium bis(trimethylsilyl)amide, lithium dicyclohexylamide, or potassium bis(trimethylsilyl)amide base and alkylating agent; atherosclerosis, myocardial infarction, congestive heart failure, inflammatory bowel disease, arthritis, type II diabetes, multiple sclerosis and rheumatoid arthritis WYETH (US) 2009-10-13 US disclosed
US-7601847-B2 Via lithium bis(trimethylsilyl)amide, lithium dicyclohexylamide, or potassium bis(trimethylsilyl)amide base and alkylating agent; atherosclerosis, myocardial infarction, congestive heart failure, inflammatory bowel disease, arthritis, type II diabetes, multiple sclerosis and rheumatoid arthritis WYETH (US) 2009-10-13 US disclosed
US-7601847-B2 Via lithium bis(trimethylsilyl)amide, lithium dicyclohexylamide, or potassium bis(trimethylsilyl)amide base and alkylating agent; atherosclerosis, myocardial infarction, congestive heart failure, inflammatory bowel disease, arthritis, type II diabetes, multiple sclerosis and rheumatoid arthritis WYETH (US) 2009-10-13 US disclosed
US-7592363-B2 Indazoles WYETH (US) 2009-09-22 US disclosed
EP-1542976-B1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH CORP (US) 2009-02-04 EP disclosed
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols WYETH (US) 2007-09-27 US disclosed
US-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 US disclosed
US-20060111574-A1 Preparation and purification of 4-(indazol-3-yl) phenols WYETH (US) 2006-05-25 US disclosed
US-20060030612-A1 Indazoles useful in treating cardiovascular diseases WYETH (US) 2006-02-09 US disclosed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 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-20060030612-A1 Indazoles useful in treating cardiovascular diseases NR1H2, NR1H3, CYP46A1 CYP1A2 26/4885CYP3A4 137/4885CYP2C19 147/4885
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols INSR, TNNI3, INSRR CYP1A2 2175/4885CYP3A4 2529/4885CYP2C19 1565/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 CYP1A2 2587/4885CYP3A4 2960/4885CYP2C19 2910/4885
US-20060111574-A1 Preparation and purification of 4-(indazol-3-yl) phenols H1-10, KCNH3, H1-0 CYP1A2 1502/4885CYP3A4 1616/4885CYP2C19 2363/4885

“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.