SCHEMBL4031633

SCHEMBL4031633

Oc1ccc(-c2nn(Cc3ccccc3)c3ccc(C(F)(F)F)cc23)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.50
ESR2 Q92731 1/20 0.47
PTGER1 P34995 1/20 0.41
PTGER4 P35408 2/20 0.40
FSCN1 Q16658 1/20 0.40
RORC P51449 1/20 0.39
GRM2 Q14416 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
CNR1 P21554 1/20 0.39
NR2F2 P24468 1/20 0.39
CNR2 P34972 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL4035851 0.91 ESR1 (0.59) ESR1ESR2PTGER1RORC
SCHEMBL4032054 0.86 ESR1 (0.61) ESR1PTGER1PTGER4FSCN1RORC
SCHEMBL4029275 0.83 ESR1 (0.56) ESR1ESR2RORCMAPTCNR1
SCHEMBL5400987 0.82 PTGER1 (0.53) ESR1PTGER1PTGER4FSCN1MAPT
SCHEMBL4029316 0.81 ESR1 (0.67) ESR1ESR2MAPT
SCHEMBL4028196 0.79 ESR1 (0.73) ESR1ESR2RORCMEN1MAPT
SCHEMBL14380101 0.78 CNR1 (0.47) PTGER1PTGER4FSCN1GRM2MAPT
SCHEMBL4028897 0.77 ESR1 (0.61) ESR1PTGER1RORCMEN1MAPT
SCHEMBL4026592 0.77 ESR1 (0.57) ESR1CNR1CNR2
SCHEMBL5563000 0.75 PDE5A (0.71) PTGER1PTGER4FSCN1MAPT

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 8 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
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors WYETH (US) 2006-05-25 US 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
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols WYETH (US) 2007-09-27 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 (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 1028/4885ESR2 621/4885PTGER1 349/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885ESR2 605/4885PTGER1 163/4885
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors IKBKB, NFKBIA, IKBKG ESR1 19/4885ESR2 11/4885PTGER1 506/4885

“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.