SCHEMBL3204959

SCHEMBL3204959

COc1ccc(C(=O)c2cc3cccc(Br)c3o2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
MAPT P10636 4/20 0.60
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 2/20 0.60
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 2/20 0.54
RECQL P46063 1/20 0.54
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 2/20 0.46
CA12 O43570 1/20 0.43

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
SCHEMBL1854312 0.89 ALDH1A1 (0.50) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1852383 0.89 RAB9A (0.57) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1854107 0.89 ALDH1A1 (0.49) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1853958 0.84 RAB9A (0.58) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3209928 0.78 NPC1 (0.45) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL6001029 0.77 TSHR (0.54) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1848516 0.76 NPC1 (0.48) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4856085 0.76 LMNA (0.62) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL30950193 0.76 LMNA (0.62) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3221809 0.76 NPC1 (0.43) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2

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-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 ALDH1A1 2005/4885MAPT 4174/4885RAB9A 2891/4885

“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.