SCHEMBL1407465

SCHEMBL1407465

COc1ccc(C(=O)c2cccc(F)c2F)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
PDE4D Q08499 1/20 0.44
CES2 O00748 1/20 0.44
BCHE P06276 1/20 0.44
CES1 P23141 1/20 0.44
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8180127 0.89 HTT (0.58) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL11577347 0.81 STS (0.54) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL11810033 0.81 CYP1A2 (0.51) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL11577171 0.78 CYP1A2 (0.70) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL1407395 0.78 KMT2A (0.58) KMT2AHTTLMNAMAPK1RAB9A
SCHEMBL8180872 0.77 PIN1 (0.50) POLBKMT2AHTTLMNARAB9A
SCHEMBL256788 0.77 KMT2A (0.55) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL4032358 0.77 RAB9A (0.54) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL8718343 0.77 KMT2A (0.68) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL8174964 0.76 SMN1; SMN2 (0.58) POLBKMT2ALMNARAB9ACES2

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-2295429-A1 3-((hetero)aryl)-indazoles as Liver X receptor (LXR) and Th-1 inhibitors for the treatment of cardiovascular diseases Wyeth LLC (US) 2011-03-16 EP disclosed
US-7592363-B2 Indazoles WYETH (US) 2009-09-22 US disclosed
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
US-20060030612-A1 Indazoles useful in treating cardiovascular diseases WYETH (US) 2006-02-09 US disclosed
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 disclosed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US disclosed
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 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-20060030612-A1 Indazoles useful in treating cardiovascular diseases NR1H2, NR1H3, CYP46A1 CYP1A2 26/4885CYP2C19 147/4885CYP3A4 137/4885
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols INSR, TNNI3, INSRR CYP1A2 2175/4885CYP2C19 1565/4885CYP3A4 2529/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 CYP1A2 2587/4885CYP2C19 2910/4885CYP3A4 2960/4885

“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.