SCHEMBL1407930

SCHEMBL1407930

COc1ccc(C(=O)c2cccc(F)c2F)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.57
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 2/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 2/20 0.49
PGR P06401 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
AR P10275 1/20 0.49
CHRM1 P11229 1/20 0.49
ALOX15 P16050 1/20 0.49
TBXA2R P21731 1/20 0.49
SLC6A2 P23975 1/20 0.49
ADRA1A P35348 1/20 0.49
HIF1A Q16665 1/20 0.49

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
SCHEMBL4935615 0.88 NPC1 (0.60) NPC1KMT2ALMNACYP1A2CYP3A4
SCHEMBL4028526 0.87 NPC1 (0.56) NPC1KMT2ALMNACYP1A2CYP3A4
SCHEMBL1408182 0.86 NPC1 (0.55) NPC1KMT2ALMNACYP1A2CYP3A4
SCHEMBL4032529 0.86 LMNA (0.49) NPC1LMNACYP1A2CYP3A4CYP2C19
SCHEMBL1407535 0.84 NPC1 (0.52) NPC1KMT2ALMNACYP1A2CYP3A4
SCHEMBL8174964 0.83 SMN1; SMN2 (0.58) NPC1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL6373100 0.83 NPC1 (0.66) NPC1KMT2ALMNACYP1A2CYP3A4
SCHEMBL285924 0.83 NPC1 (0.79) NPC1KMT2ALMNACYP1A2CYP3A4
SCHEMBL31575666 0.83 NPC1 (0.79) NPC1KMT2ALMNACYP1A2CYP3A4
SCHEMBL3236831 0.82 NPC1 (0.68) NPC1KMT2ALMNACYP1A2CYP3A4

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 11 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
EP-1773781-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES Wyeth (US) 2007-04-18 EP disclosed
WO-2006017384-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES WYETH (US) 2006-02-16 WO 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 NPC1 23/4885KMT2A 2373/4885LMNA 1326/4885
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols INSR, TNNI3, INSRR NPC1 3850/4885KMT2A 2656/4885LMNA 4029/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 NPC1 3636/4885KMT2A 2418/4885LMNA 4285/4885

“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.