SCHEMBL6835683

SCHEMBL6835683

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 3/20 0.60
AKR1C1 Q04828 3/20 0.60
AKR1C4 P17516 1/20 0.60
AKR1C3 P42330 1/20 0.60
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ABL1 P00519 1/20 0.53
TSHR P16473 1/20 0.53
RIN1 Q13671 1/20 0.53
STING1 Q86WV6 1/20 0.52
SORT1 Q99523 3/20 0.50
DHODH Q02127 1/20 0.49
GRM5 P41594 1/20 0.49
KCNK2 O95069 1/20 0.48
KCNK10 P57789 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL6833128 0.84 GRM5 (0.44) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6834682 0.82 SORT1 (0.60) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6834207 0.81 RAB9A (0.72) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6933488 0.79 AKR1C2 (0.52) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL1309342 0.78 AKR1C2 (0.63) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6355650 0.77 AKR1C2 (0.84) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6834036 0.77 SMN1; SMN2 (0.58) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL9513479 0.77 MAPT (0.80) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6833304 0.77 AKR1C2 (0.61) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL17166275 0.76 AKR1C2 (0.73) 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 claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US 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.