SCHEMBL6933488

SCHEMBL6933488

O=C(Nc1ccc(Br)cc1C(=O)O)c1cccc(SCc2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 3/20 0.52
AKR1C1 Q04828 3/20 0.52
AKR1C4 P17516 1/20 0.52
AKR1C3 P42330 1/20 0.52
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
TNF P01375 1/20 0.48
PLA2G1B P04054 1/20 0.48
NOD2 Q9HC29 1/20 0.48
NOD1 Q9Y239 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ABL1 P00519 1/20 0.46
TSHR P16473 1/20 0.46
RIN1 Q13671 1/20 0.46
STING1 Q86WV6 1/20 0.44
MCL1 Q07820 1/20 0.43
BCL2A1 Q16548 1/20 0.43
DHODH Q02127 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
SCHEMBL6833911 0.91 AKR1C2 (0.44) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6833834 0.88 MEN1 (0.47) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6835614 0.84 MEN1 (0.47) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6820007 0.83 LRRK2 (0.40) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6833251 0.81 MEN1 (0.47) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6926558 0.81 MEN1 (0.48) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6834451 0.80 STING1 (0.48) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6819149 0.80 AKR1C2 (0.54) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6835683 0.79 AKR1C2 (0.60) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6350712 0.78 AKR1C2 (0.63) AKR1C2AKR1C1AKR1C4AKR1C3MEN1

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed

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 AKR1C2 2596/4885AKR1C1 2161/4885AKR1C4 2813/4885

“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.