SCHEMBL4030264

SCHEMBL4030264

Cn1nc(-c2ccc(O)cc2)c2cc(F)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.53
KDM4C Q9H3R0 1/20 0.45
DHODH Q02127 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ESR1 P03372 1/20 0.43
KHK P50053 1/20 0.41
PTGER1 P34995 1/20 0.40
SCN9A Q15858 1/20 0.40
NR3C1 P04150 1/20 0.39
MAPK14 Q16539 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38

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
SCHEMBL4025988 0.85 NAMPT (0.48) NAMPTKDM4CL3MBTL1ESR1KHK
SCHEMBL20389257 0.85 NAMPT (0.50) NAMPTKDM4CL3MBTL1KHKPTGER1
SCHEMBL4034001 0.84 L3MBTL1 (0.59) NAMPTKDM4CDHODHL3MBTL1KHK
SCHEMBL5407109 0.82 ESR1 (0.67) NAMPTKDM4CESR1ESR2
SCHEMBL20389048 0.82 NAMPT (0.56) NAMPTKDM4CL3MBTL1KHKSCN9A
SCHEMBL4030717 0.81 MAPK1 (0.53) NAMPTL3MBTL1ESR1KHKSCN9A
SCHEMBL4033183 0.80 ESR1 (0.51) NAMPTKDM4CDHODHESR1PTGER1
SCHEMBL20379350 0.79 L3MBTL1 (0.68) NAMPTKDM4CL3MBTL1MAPK14ALDH1A1
SCHEMBL13354962 0.79 MAPK14 (0.47) NAMPTKDM4CL3MBTL1KHKSCN9A
SCHEMBL4031900 0.78 ESR1 (0.43) NAMPTL3MBTL1ESR1SCN9AESR2

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
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
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 NAMPT 4390/4885KDM4C 673/4885DHODH 4017/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 NAMPT 4622/4885KDM4C 909/4885DHODH 3982/4885
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors IKBKB, NFKBIA, IKBKG NAMPT 2394/4885KDM4C 3103/4885DHODH 3041/4885

“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.