SCHEMBL4031736

SCHEMBL4031736

COc1ccc(-c2c3cccc(Cl)c3nn2C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
MAOB P27338 2/20 0.41
MPO P05164 1/20 0.40
MAPT P10636 2/20 0.40
GPR139 Q6DWJ6 1/20 0.39
SRC P12931 2/20 0.38
PIK3CD O00329 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
HCK P08631 1/20 0.38
KDR P35968 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
EPHB4 P54760 1/20 0.38
PRKDC P78527 1/20 0.38

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
SCHEMBL4027168 0.85 HTR2A (0.46) HTR2AHTR2CHTR2BTDP1MPO
SCHEMBL4201255 0.84 HTR2A (0.45) HTR2AHTR2CHTR2BTDP1MAOB
SCHEMBL4030919 0.82 NR1H2 (0.46) HTR2AHTR2CHTR2BTDP1MPO
SCHEMBL1407257 0.82 CRHR1 (0.38) MPOGPR139PIK3CD
SCHEMBL4026883 0.77 ESR1 (0.44) MAOBMPOGPR139MEN1KMT2A
SCHEMBL4031327 0.76 ESR1 (0.48) TDP1MAPTSRCPIK3CDABL1
SCHEMBL4194778 0.76 ESR1 (0.46) TDP1MAOBMAPT
SCHEMBL4034794 0.74 MPO (0.49) MAOBMPOGPR139MEN1KMT2A
SCHEMBL8038692 0.69 SRC (0.51) HTR2AHTR2CHTR2BTDP1MAPT
SCHEMBL4034173 0.69 ESR1 (0.45) HTR2AHTR2CHTR2BMPOSRC

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.