SCHEMBL4028965

SCHEMBL4028965

COc1ccc(C(=O)c2cccc(Br)c2F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
NPSR1 Q6W5P4 3/20 0.54
MAPT P10636 3/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
NPC1 O15118 2/20 0.49
AHR P35869 1/20 0.47
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
PDF Q9HBH1 2/20 0.44
GCGR P47871 1/20 0.44
PLK1 P53350 1/20 0.44

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
SCHEMBL1407395 0.84 KMT2A (0.58) KMT2ANPSR1MAPTRAB9AMEN1
SCHEMBL11575471 0.84 KMT2A (0.66) KMT2ANPSR1MAPTRAB9AMEN1
SCHEMBL1407369 0.83 KMT2A (0.56) KMT2ANPSR1MAPTRAB9AMEN1
SCHEMBL4030188 0.83 LMNA (0.47) KMT2ANPSR1MAPTRAB9AMEN1
SCHEMBL4120271 0.82 LMNA (0.44) KMT2ANPSR1MAPTMEN1LMNA
SCHEMBL1407588 0.82 KMT2A (0.72) KMT2ANPSR1MAPTRAB9AMEN1
SCHEMBL30822629 0.82 KMT2A (0.63) KMT2ANPSR1MAPTRAB9AMEN1
SCHEMBL14831119 0.80 AKR1C3 (0.52) KMT2ANPSR1MAPTMEN1ALDH1A1
SCHEMBL1407322 0.79 KMT2A (0.52) KMT2ANPSR1MAPTRAB9AMEN1
SCHEMBL3244189 0.78 KMT2A (0.66) KMT2ANPSR1MAPTRAB9AMEN1

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 KMT2A 2656/4885NPSR1 1543/4885MAPT 4276/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 KMT2A 2418/4885NPSR1 2125/4885MAPT 4325/4885

“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.