SCHEMBL2852296

SCHEMBL2852296

Cc1cccc(-c2c(F)cc(F)cc2Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
NR3C1 P04150 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RPS6KA3 P51812 1/20 0.35
TGFBR1 P36897 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
MAPK14 Q16539 1/20 0.35
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35

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
SCHEMBL20022144 0.84 ACHE (0.48) ACHERAB9ANPC1SMN1; SMN2TP53
SCHEMBL20022105 0.84 ACHE (0.48) ACHERAB9ANPC1SMN1; SMN2TP53
SCHEMBL1865690 0.82 CSNK1E (0.43) ACHERAB9ANPC1SMN1; SMN2TP53
SCHEMBL17037053 0.82 ACHE (0.47) ACHERAB9ANPC1SMN1; SMN2TP53
SCHEMBL21928610 0.80 L3MBTL1 (0.40) ALDH1A1MAPK1L3MBTL1MEN1LMNA
SCHEMBL17033286 0.79 ACHE (0.44) ACHERAB9ANPC1SMN1; SMN2TP53
SCHEMBL20022096 0.79 ACHE (0.47) ACHERAB9ANPC1SMN1; SMN2TP53
SCHEMBL12384880 0.77 RAB9A (0.44) ACHERAB9ANPC1SMN1; SMN2TP53
SCHEMBL3582842 0.76 NR3C1 (0.40) ACHERAB9ANPC1SMN1; SMN2TP53
SCHEMBL16809181 0.75 CSNK1E (0.51) ACHERAB9ANPC1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130471-A1 Renin Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-05-27 US disclosed
WO-2008124582-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 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-20100130471-A1 Renin Inhibitors ACE, REN, DNPEP ACHE 262/4885RAB9A 463/4885NPC1 1257/4885

“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.