SCHEMBL4032473

SCHEMBL4032473

COc1ccc(Cc2c3cccc(F)c3nn2C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LTA4H P09960 1/20 0.38
MAPT P10636 4/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
KDR P35968 3/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SLC6A4 P31645 1/20 0.36
HSP90AB1 P08238 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4201255 0.79 HTR2A (0.45) GPR139L3MBTL1MAPTTP53SMN1; SMN2
SCHEMBL4026075 0.78 KDR (0.42) L3MBTL1LTA4HMAPTTP53SMN1; SMN2
SCHEMBL4031120 0.71 CYP1A1 (0.42) MAPTSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL5397335 0.68 ESR1 (0.51) L3MBTL1MAPTTP53SMN1; SMN2KDR
SCHEMBL4030727 0.65 SIGMAR1 (0.44) KDRALDH1A1HTTNPSR1SLC6A4
SCHEMBL4033226 0.65 ADRA1A (0.45) LTA4HMAPTTP53SMN1; SMN2KDR
SCHEMBL21063077 0.65 BACE1 (0.45) L3MBTL1LTA4HMAPTTP53SMN1; SMN2
SCHEMBL4200871 0.64 NR1H2 (0.43) GPR139L3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL4030919 0.64 NR1H2 (0.46) TDP1MPO
SCHEMBL4027168 0.64 HTR2A (0.46) GPR139MAPTTP53SMN1; SMN2KDR

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 6 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
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 (2 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 GPR139 497/4885L3MBTL1 1281/4885LTA4H 3287/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 GPR139 1256/4885L3MBTL1 1806/4885LTA4H 3084/4885

“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.