SCHEMBL4028645

SCHEMBL4028645

Oc1ccc(-c2nn(C3CCCC3)c3c(-c4cccs4)cccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.64
SMPD3 Q9NY59 1/20 0.38
CMKLR1 Q99788 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PLAUR Q03405 1/20 0.37
FYN P06241 1/20 0.35
ESR2 Q92731 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GBA1 P04062 1/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4031906 0.84 ESR1 (0.72) ESR1CMKLR1PDE4APDE4BPDE4C
SCHEMBL4032516 0.83 ESR1 (0.70) ESR1CMKLR1PDE4APDE4BPDE4C
SCHEMBL4027242 0.80 ESR1 (0.67) ESR1CMKLR1MAPTKDM4E
SCHEMBL4027899 0.80 ESR1 (0.80) ESR1CMKLR1PDE4APDE4BPDE4C
SCHEMBL4030702 0.80 ESR1 (0.66) ESR1CMKLR1
SCHEMBL4028190 0.80 ESR1 (0.66) ESR1CMKLR1MAPTNPC1SMN1; SMN2
SCHEMBL4031236 0.78 ESR1 (0.64) ESR1CMKLR1
SCHEMBL4029324 0.78 ESR1 (0.64) ESR1CMKLR1ESR2
SCHEMBL4031653 0.78 ESR1 (0.64) ESR1CMKLR1
SCHEMBL4029642 0.78 ESR1 (1.00) ESR1CMKLR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols WYETH (US) 2007-09-27 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
US-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 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 1028/4885SMPD3 2751/4885CMKLR1 399/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885SMPD3 2918/4885CMKLR1 525/4885
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors IKBKB, NFKBIA, IKBKG ESR1 19/4885SMPD3 4251/4885CMKLR1 996/4885

“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.