SCHEMBL4032475

SCHEMBL4032475

COc1ccc(-c2c3c(C)ccc(F)c3nn2C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
HTR2B P41595 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
SRC P12931 7/20 0.39
ABL1 P00519 4/20 0.39
HCK P08631 3/20 0.39
EGFR P00533 3/20 0.39
PIK3CD O00329 2/20 0.39
KDR P35968 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
MTOR P42345 2/20 0.39
PIK3CG P48736 2/20 0.39
EPHB4 P54760 2/20 0.39
PRKDC P78527 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
LTA4H P09960 1/20 0.36
MAOB P27338 1/20 0.36
TNF P01375 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
SCHEMBL4201255 0.78 HTR2A (0.45) HTR2AHTR2CHTR2BTDP1SRC
SCHEMBL5411726 0.77 SRC (0.50) HTR2AHTR2CHTR2BTDP1SRC
SCHEMBL4027168 0.74 HTR2A (0.46) HTR2AHTR2CHTR2BTDP1SRC
SCHEMBL4030919 0.68 NR1H2 (0.46) HTR2AHTR2CHTR2BTDP1
SCHEMBL8038692 0.68 SRC (0.51) HTR2AHTR2CHTR2BTDP1SRC
SCHEMBL4031736 0.68 HTR2A (0.45) HTR2AHTR2CHTR2BTDP1SRC
SCHEMBL4031120 0.64 CYP1A1 (0.42) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4032473 0.62 GPR139 (0.39) TDP1KDRLTA4HALDH1A1MAPT
SCHEMBL5397335 0.62 ESR1 (0.51) TDP1SRCABL1HCKEGFR
SCHEMBL1476155 0.61 HTR2A (1.00) HTR2AHTR2CHTR2BTDP1HTR7

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 HTR2A 4335/4885HTR2C 3255/4885HTR2B 3537/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 HTR2A 4481/4885HTR2C 2857/4885HTR2B 4316/4885

“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.