SCHEMBL4026271

SCHEMBL4026271

Cn1nc(-c2ccc(O)c(O)c2)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.46
SCN5A Q14524 1/20 0.42
MAP2K4 P45985 2/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
MAPKAPK3 Q16644 1/20 0.39
MAPK6 Q16659 1/20 0.39
CYP2C9 P11712 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 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
SCHEMBL4029390 0.90 SCN9A (0.52) SCN9ASCN5AMAP2K4MAPTKDM4E
SCHEMBL4030717 0.86 MAPK1 (0.53) SCN9ASCN5AMAP2K4MAPTKDM4E
SCHEMBL4197102 0.83 ESR1 (0.44) SCN9ASCN5AMAP2K4MAPTKDM4E
SCHEMBL4025988 0.82 NAMPT (0.48) SCN9AL3MBTL1MEN1KMT2ANAMPT
SCHEMBL4035483 0.82 ESR1 (0.44) SCN9AMAP2K4MAPTKDM4EALDH1A1
SCHEMBL4029746 0.81 NAMPT (0.47) MAP2K4ALDH1A1MAPK1MAPKAPK2MAPKAPK3
SCHEMBL5420530 0.81 ALDH1A1 (0.59) SCN9ASCN5AMAP2K4MAPTKDM4E
SCHEMBL4027782 0.76 SCN9A (0.57) SCN9ASCN5AMAP2K4MAPTKDM4E
SCHEMBL4025242 0.75 ESR1 (0.44) SCN9ASCN5AMAP2K4KDM4EMAPK1
SCHEMBL4029629 0.75 ESR1 (0.52) SCN9ASCN5AMAPTKDM4EALDH1A1

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 2 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 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 (1 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 SCN9A 1161/4885SCN5A 2189/4885MAP2K4 793/4885

“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.