SCHEMBL4031900

SCHEMBL4031900

Cn1nc(-c2ccc(O)cc2)c2cc(Cl)c(F)cc21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.43
SCN9A Q15858 4/20 0.42
SCN5A Q14524 1/20 0.39
NAMPT P43490 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LSS P48449 1/20 0.36
ESR2 Q92731 1/20 0.35

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
SCHEMBL4031930 0.94 SCN9A (0.45) ESR1SCN9ASCN5ANAMPTL3MBTL1
SCHEMBL4029614 0.86 ESR1 (0.39) ESR1SCN9ASCN5ANAMPTL3MBTL1
SCHEMBL5409059 0.86 L3MBTL1 (0.49) SCN9AL3MBTL1
SCHEMBL4028980 0.82 ESR1 (0.57) ESR1
SCHEMBL4030925 0.81 ESR1 (0.60) ESR1
SCHEMBL4030264 0.78 NAMPT (0.53) ESR1SCN9ANAMPTL3MBTL1ESR2
SCHEMBL4026003 0.78 ESR1 (0.54) ESR1SCN9ANAMPT
SCHEMBL4035275 0.77 ESR1 (0.61) ESR1
SCHEMBL4029086 0.76 ESR1 (0.57) ESR1
SCHEMBL13106278 0.72 ADORA2A (0.60)

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 3 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
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 (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 ESR1 1028/4885SCN9A 1161/4885SCN5A 2189/4885

“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.