SCHEMBL4474677

SCHEMBL4474677

COc1cccc(C(=O)c2nn(C(C)C)c3c(C(F)(F)F)cccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.47
ELANE P08246 5/20 0.45
MAOB P27338 1/20 0.44
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RORC P51449 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
THRB P10828 1/20 0.39
NPC1 O15118 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39

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
SCHEMBL4480374 0.86 ESR1 (0.56) ESR1MAPTLMNAKDM4EMEN1
SCHEMBL4477307 0.82 ELANE (0.46) ESR1ELANEMAOBMAPTLMNA
SCHEMBL4485930 0.81 ESR1 (0.64) ESR1MAOBMAPTLMNAKDM4E
SCHEMBL4482274 0.80 ALDH1A1 (0.46) ELANEMAOBMAPTLMNARAB9A
SCHEMBL4485902 0.74 MAOB (0.47) ELANEMAOBMAPTLMNARAB9A
SCHEMBL4027391 0.72 ESR1 (0.73) ESR1KDM4EAKR1C4AKR1C3AKR1C2
SCHEMBL4030066 0.72 ESR1 (0.74) ESR1MAPT
SCHEMBL1124561 0.69 MAOB (0.54) MAOBMAPTLMNARAB9AGAA
SCHEMBL3509598 0.68 MAPT (0.54) MAOBMAPTLMNARAB9AGAA
SCHEMBL4481957 0.67 ESR1 (0.45) ESR1MAPTLMNAKDM4EMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598286-B2 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2009-10-06 US disclosed
US-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2006-05-18 US disclosed
WO-2006050006-A2 ((1H-INDAZOL-3-YL)METHYL) PHENOLS AND (HYDROXYPHENYL)(1H-INDAZOL-3-YL) METHANONES AS LIGANDS OF THE ESTROGEN RECEPTOR WYETH (US) 2006-05-11 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 (1 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-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones PTGS1, NOS3, PTGIS ESR1 890/4885ELANE 250/4885MAOB 2228/4885

“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.