SCHEMBL4029018

SCHEMBL4029018

CCCCn1nc(-c2ccc(O)cc2)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.51
MAPK1 P28482 2/20 0.46
MAP2K4 P45985 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
MAPKAPK3 Q16644 1/20 0.46
MAPK6 Q16659 1/20 0.46
RORA P35398 2/20 0.43
RORC P51449 2/20 0.43
RORB Q92753 2/20 0.43
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGER1 P34995 1/20 0.38
SCN9A Q15858 1/20 0.38
KIF11 P52732 1/20 0.38
DGAT1 O75907 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4030236 0.91 ESR1 (0.57) ESR1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL4035483 0.89 ESR1 (0.44) ESR1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL5409012 0.88 KDM4E (0.46) ESR1RORARORCRORBMEN1
SCHEMBL4032078 0.87 ESR1 (0.57) ESR1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL4030717 0.81 MAPK1 (0.53) ESR1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL4029629 0.80 ESR1 (0.52) ESR1RORARORCRORBMEN1
SCHEMBL4032054 0.79 ESR1 (0.61) ESR1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL4034165 0.79 ESR1 (0.65) ESR1MEN1MAPTKMT2AKDM4E
SCHEMBL5406664 0.79 PTGER1 (0.53) ESR1MEN1MAPTKMT2APTGER1
SCHEMBL4035081 0.77 ESR1 (0.57) ESR1MAPK1MAP2K4MAPKAPK2MAPKAPK3

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-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols WYETH (US) 2007-09-27 US claimed
US-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 US claimed
CN-1321984-C Substituted 4- (indazol-3-yl) phenols as Estrogen Receptor (ER) ligands and their use in the treatment of inflammation WYETH CORP (US) 2007-06-20 CN claimed
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors WYETH (US) 2006-05-25 US claimed
CN-1692102-A Substituted 4- (indazol-3-yl) phenols as Estrogen Receptor (ER) ligands and their use in the treatment of inflammation WYETH CORP (US) 2005-11-02 CN claimed
EP-1542976-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES Wyeth (US) 2005-06-22 EP claimed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US claimed
WO-2004031159-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH (US) 2004-04-15 WO claimed
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
CN-101054364-A Substituted 4-(indazol-3-yl)phenols as estrogen receptor (ER) ligands and their use in the treatmentof inflammarory diseases WYETH CORP (US) 2007-10-17 CN 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
CN-1321984-C Substituted 4- (indazol-3-yl) phenols as Estrogen Receptor (ER) ligands and their use in the treatment of inflammation WYETH CORP (US) 2007-06-20 CN disclosed
CN-1692102-A Substituted 4- (indazol-3-yl) phenols as Estrogen Receptor (ER) ligands and their use in the treatment of inflammation WYETH CORP (US) 2005-11-02 CN 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 (3 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-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols INSR, TNNI3, INSRR ESR1 1028/4885MAPK1 857/4885MAP2K4 793/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885MAPK1 368/4885MAP2K4 402/4885
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors IKBKB, NFKBIA, IKBKG ESR1 19/4885MAPK1 1596/4885MAP2K4 860/4885

“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.