SCHEMBL6834451

SCHEMBL6834451

O=C(Nc1ccc(Br)cc1C(=O)O)c1cc(SCc2ccccc2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MCL1 Q07820 3/20 0.47
BCL2A1 Q16548 3/20 0.47
AKR1C2 P52895 3/20 0.46
AKR1C1 Q04828 3/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
TNF P01375 1/20 0.45
PLA2G1B P04054 1/20 0.45
NOD2 Q9HC29 1/20 0.45
NOD1 Q9Y239 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
LRRK2 Q5S007 5/20 0.45
ALDH1A1 P00352 1/20 0.44
KCNK2 O95069 1/20 0.44
KCNK10 P57789 1/20 0.44
MAPT P10636 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 0.92 AKR1C2 (0.44) STING1MEN1KMT2AMCL1BCL2A1
SCHEMBL6820007 0.84 LRRK2 (0.40) MEN1KMT2AAKR1C2AKR1C1AKR1C4
SCHEMBL6350712 0.82 AKR1C2 (0.63) MEN1KMT2AMCL1BCL2A1AKR1C2
SCHEMBL6819149 0.81 AKR1C2 (0.54) MEN1KMT2AMCL1BCL2A1AKR1C2
SCHEMBL6835614 0.81 MEN1 (0.47) STING1MEN1KMT2AMCL1BCL2A1
SCHEMBL6821934 0.81 AKR1C2 (0.53) STING1MEN1KMT2AAKR1C2AKR1C1
SCHEMBL6926558 0.80 MEN1 (0.48) STING1MEN1KMT2AMCL1BCL2A1
SCHEMBL6933488 0.80 AKR1C2 (0.52) STING1MEN1KMT2AMCL1BCL2A1
SCHEMBL6834682 0.79 SORT1 (0.60) STING1MEN1KMT2AAKR1C2AKR1C1
SCHEMBL6833834 0.78 MEN1 (0.47) STING1MEN1KMT2AMCL1BCL2A1

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 STING1 95/4885MEN1 4132/4885KMT2A 2853/4885

“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.