SCHEMBL6819149

SCHEMBL6819149

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccnc(SCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 4/20 0.54
AKR1C1 Q04828 4/20 0.54
AKR1C4 P17516 1/20 0.54
AKR1C3 P42330 1/20 0.54
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 4/20 0.48
ABL1 P00519 1/20 0.48
TSHR P16473 1/20 0.48
RIN1 Q13671 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MCL1 Q07820 1/20 0.47
BCL2A1 Q16548 1/20 0.47
DHODH Q02127 1/20 0.47
KCNK2 O95069 1/20 0.47
KCNK10 P57789 1/20 0.47
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL6350712 0.82 AKR1C2 (0.63) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6834451 0.81 STING1 (0.48) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6835614 0.81 MEN1 (0.47) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6933488 0.80 AKR1C2 (0.52) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6352641 0.80 AKR1C2 (0.63) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL15575203 0.80 NPC1 (0.69) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL6833911 0.78 AKR1C2 (0.44) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6833834 0.78 MEN1 (0.47) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6356850 0.78 AKR1C2 (0.58) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
Hydrochloric Acid SCHEMBL6347252 0.78 AKR1C2 (0.57) 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 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 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.