SCHEMBL1852383

SCHEMBL1852383

COc1ccc(C(=O)c2cc3cccc(Br)c3o2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
ALDH1A1 P00352 4/20 0.57
NPC1 O15118 3/20 0.57
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 2/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 3/20 0.51
RECQL P46063 1/20 0.51
MAPK1 P28482 2/20 0.47
ACHE P22303 1/20 0.46
GPR35 Q9HC97 1/20 0.45
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 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
SCHEMBL3204959 0.89 ALDH1A1 (0.60) RAB9AALDH1A1NPC1HTTSMN1; SMN2
SCHEMBL3209928 0.85 NPC1 (0.45) RAB9AALDH1A1NPC1HTTSMN1; SMN2
SCHEMBL3221809 0.81 NPC1 (0.43) RAB9AALDH1A1NPC1HTTSMN1; SMN2
SCHEMBL1853958 0.81 RAB9A (0.58) RAB9AALDH1A1NPC1HTTSMN1; SMN2
SCHEMBL1854312 0.80 ALDH1A1 (0.50) RAB9AALDH1A1NPC1HTTSMN1; SMN2
SCHEMBL1854107 0.79 ALDH1A1 (0.49) RAB9AALDH1A1NPC1HTTSMN1; SMN2
SCHEMBL1853751 0.75 ERN1 (0.40) RAB9AALDH1A1NPC1HTTSMN1; SMN2
SCHEMBL1857344 0.74 TDP1 (0.40) ALDH1A1HTTMAPTKMT2AMEN1
SCHEMBL1848516 0.74 NPC1 (0.48) RAB9AALDH1A1NPC1HTTSMN1; SMN2
SCHEMBL30950193 0.74 LMNA (0.62) RAB9AALDH1A1NPC1HTTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
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 RAB9A 2891/4885ALDH1A1 2005/4885NPC1 2479/4885

“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.