SCHEMBL5854041

SCHEMBL5854041

O=C(O)c1cc(Br)cc(Br)c1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.61
AKR1C2 P52895 2/20 0.61
AKR1C1 Q04828 2/20 0.61
AKR1C4 P17516 1/20 0.61
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
GPR35 Q9HC97 3/20 0.43
HSPD1 P10809 1/20 0.39
HSPE1 P61604 1/20 0.39
LCK P06239 2/20 0.38
FYN P06241 1/20 0.38
PTPN1 P18031 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 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
SCHEMBL16098563 0.89 AKR1C3 (0.56) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL30955021 0.83 KEAP1 (0.44) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL30300276 0.83 AKR1C2 (0.50) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL671102 0.83 AKR1C2 (0.50) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL19971600 0.83 KEAP1 (0.44) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL25340705 0.81 AKR1C3 (0.53) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL16122465 0.81 TTR (0.54) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL31457965 0.81 AKR1C4 (0.44) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL18000505 0.81 AKR1C4 (0.44) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL29509769 0.81 AKR1C3 (0.53) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6992103-B2 Benzamide derivatives, processes for their preparation, and their pharmaceutical use SMITHKLINE BEECHAM P.L.C. (GB) 2006-01-31 US disclosed
US-20050085520-A1 Benzamide derivatives, processes for their preparation, and their pharmaceutical use SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-21 US disclosed
EP-1448520-A1 BENZAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
WO-2003045913-A1 BENZAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-05 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-20050085520-A1 Benzamide derivatives, processes for their preparation, and their pharmaceutical use BACE2, PSEN2, BACE1 AKR1C3 4539/4885AKR1C2 4095/4885AKR1C1 4258/4885

“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.