SCHEMBL4477307

SCHEMBL4477307

CCCn1nc(C(=O)c2cccc(OC)c2)c2cccc(C(F)(F)F)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.46
MAOB P27338 1/20 0.43
LMNA P02545 4/20 0.42
MTNR1B P49286 1/20 0.41
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PKM P14618 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
RORC P51449 1/20 0.39
ESR1 P03372 1/20 0.39
NPC1 O15118 1/20 0.38
THRB P10828 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
SCHEMBL4481957 0.87 ESR1 (0.45) LMNAALDH1A1NPSR1KDM4EMEN1
SCHEMBL4474677 0.82 ESR1 (0.47) ELANEMAOBLMNAALDH1A1NPSR1
SCHEMBL4482274 0.78 ALDH1A1 (0.46) ELANEMAOBLMNAALDH1A1NPSR1
SCHEMBL4031926 0.73 ESR1 (0.55) ESR1
SCHEMBL4026375 0.73 ESR1 (0.60) ALDH1A1KDM4EMAPTRAB9ARXFP1
SCHEMBL4485902 0.72 MAOB (0.47) ELANEMAOBLMNAALDH1A1NPSR1
SCHEMBL4480374 0.68 ESR1 (0.56) LMNAALDH1A1NPSR1KDM4EMEN1
SCHEMBL1124561 0.67 MAOB (0.54) MAOBLMNAALDH1A1NPSR1KDM4E
SCHEMBL4032697 0.67 ESR1 (0.43) MEN1KMT2AESR1
SCHEMBL4025771 0.67 ESR1 (0.56) ALDH1A1KDM4EMEN1KMT2AESR1

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 ELANE 250/4885MAOB 2228/4885LMNA 2104/4885

“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.