SCHEMBL4485902

SCHEMBL4485902

COc1cccc(C(=O)c2n[nH]c3c(C(F)(F)F)cccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
ELANE P08246 2/20 0.45
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FLT3 P36888 1/20 0.42
RBP4 P02753 1/20 0.41
PARP1 P09874 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
STS P08842 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL4479259 0.83 HSD17B1 (0.43) MAPTLMNAKDM4EMEN1ALDH1A1
SCHEMBL4482588 0.78 FLT3 (0.65) RAB9ACES2CES1KDM4EALDH1A1
SCHEMBL4493386 0.78 CTNNB1 (0.40) MAOBMAPTLMNARAB9AKDM4E
SCHEMBL16240695 0.75 CTNNB1 (0.45) LMNAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4492238 0.74 NR1H2 (0.52) MAOBALDH1A1SMN1; SMN2
SCHEMBL4474677 0.74 ESR1 (0.47) MAOBELANEMAPTLMNAGAA
SCHEMBL16252832 0.73 CTNNB1 (0.44) LMNAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6112218 0.73 CTNNB1 (0.41) LMNAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4477307 0.72 ELANE (0.46) MAOBELANEMAPTLMNAGAA
SCHEMBL1124561 0.72 MAOB (0.54) MAOBMAPTLMNAGAARAB9A

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 MAOB 2228/4885ELANE 250/4885MAPT 3411/4885

“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.