SCHEMBL6820007

SCHEMBL6820007

O=C(Nc1ccc(Br)cc1C(=O)OC(=O)c1cc(Br)ccc1NC(=O)c1cccc(SCc2ccccc2)n1)c1cc(SCc2ccccc2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.40
ALDH1A1 P00352 2/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37
GRM4 Q14833 1/20 0.36
GRM5 P41594 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
AKR1C2 P52895 2/20 0.36
AKR1C1 Q04828 2/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
MEN1 O00255 1/20 0.35
TNF P01375 1/20 0.35
PLA2G1B P04054 1/20 0.35
KMT2A Q03164 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
ATG4B Q9Y4P1 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
SCHEMBL6833911 0.92 AKR1C2 (0.44) LRRK2ALDH1A1MAPTGAAHTT
SCHEMBL6834451 0.84 STING1 (0.48) LRRK2ALDH1A1MAPTAKR1C2AKR1C1
SCHEMBL6933488 0.83 AKR1C2 (0.52) MAPTAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6833834 0.72 MEN1 (0.47) LRRK2ALDH1A1MAPTAKR1C2AKR1C1
SCHEMBL6819149 0.71 AKR1C2 (0.54) ALDH1A1MAPTGAAAKR1C2AKR1C1
SCHEMBL6835614 0.71 MEN1 (0.47) MAPTAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6818679 0.70 ALDH1A1 (0.52) LRRK2ALDH1A1MAPTGAAABCG2
SCHEMBL6350712 0.69 AKR1C2 (0.63) ALDH1A1MAPTHTTAKR1C2AKR1C1
SCHEMBL15575576 0.69 POLB (0.62) ALDH1A1MAPTGRM4MEN1KMT2A
SCHEMBL6821934 0.69 AKR1C2 (0.53) LRRK2MAPTAKR1C2AKR1C1AKR1C4

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 LRRK2 4720/4885ALDH1A1 170/4885MAPT 4759/4885

“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.