SCHEMBL4482274

SCHEMBL4482274

COc1cccc(C(=O)c2nn(C3CCCC3)c3c(C(F)(F)F)cccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 3/20 0.46
EPHX2 P34913 1/20 0.43
ELANE P08246 2/20 0.42
MAOB P27338 1/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNJ6 P48051 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
P2RX7 Q99572 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RORC P51449 1/20 0.38
RBP4 P02753 1/20 0.37

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
SCHEMBL4479293 0.86 ESR1 (0.40) ALDH1A1KMT2ALMNAMEN1KDM4E
SCHEMBL4478391 0.82 ESR1 (0.47) ALDH1A1KMT2AMAOBLMNAMEN1
SCHEMBL4474677 0.80 ESR1 (0.47) ALDH1A1KMT2AELANEMAOBLMNA
SCHEMBL4477307 0.78 ELANE (0.46) ALDH1A1KMT2AELANEMAOBLMNA
SCHEMBL4026770 0.74 ESR1 (0.39) ALDH1A1KMT2ALMNAMEN1KDM4E
SCHEMBL4025754 0.74 ESR1 (0.52) ALDH1A1KMT2ALMNAMEN1NPSR1
SCHEMBL4025633 0.73 CYP1A1 (0.39) ALDH1A1KMT2ALMNAMEN1KDM4E
SCHEMBL863781 0.71 RET (0.55)
SCHEMBL4485902 0.71 MAOB (0.47) ALDH1A1KMT2AELANEMAOBLMNA
SCHEMBL6112274 0.69 ESR1 (0.39) ALDH1A1LMNAKDM4EP2RX7GAA

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 ALDH1A1 210/4885KMT2A 3116/4885EPHX2 1603/4885

“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.