SCHEMBL6316147

SCHEMBL6316147

Cn1cccc1C(Cl)NO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.40
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 1/20 0.32
PCSK9 Q8NBP7 1/20 0.32
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL2325762 0.70
SCHEMBL732708 0.69
SCHEMBL13257731 0.68
SCHEMBL11358008 0.68 MAOB (0.44) MAOBALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL7224587 0.68 TRIM24 (0.45) MAOBALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL6284267 0.68 MAOB (0.56) MAOBALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL18393842 0.67 MAOB (0.36) MAOBALDH1A1L3MBTL1TSHRTRIM24
SCHEMBL12087033 0.67 MAOB (0.39) MAOBALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL31530729 0.67 MAOB (0.39) MAOBALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL12469514 0.66 MAOB (0.44) MAOBALDH1A1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 MAOB 1851/4885ALDH1A1 4444/4885L3MBTL1 4176/4885

“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.