SCHEMBL6833870

SCHEMBL6833870

O=C(O)c1cc(Br)ccc1NC(=O)c1ncccc1C(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
AKR1C2 P52895 3/20 0.56
AKR1C1 Q04828 3/20 0.56
AKR1C4 P17516 1/20 0.56
AKR1C3 P42330 1/20 0.56
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
ABL1 P00519 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
RIN1 Q13671 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DHODH Q02127 1/20 0.49

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
SCHEMBL6357922 0.80 MAPT (0.81) MAPTAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL9513479 0.79 MAPT (0.80) MAPTAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6834682 0.79 SORT1 (0.60) MAPTAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6814111 0.78 SMN1; SMN2 (0.55) MAPTAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6349757 0.78 AKR1C2 (0.76) MAPTAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6721019 0.77 MAPT (0.64) MAPTAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6834014 0.75 KMT2A (0.55) MAPTAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL1308673 0.74 AKR1C2 (0.62) MAPTAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6355650 0.74 AKR1C2 (0.84) MAPTAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6352370 0.74 MAPT (0.70) MAPTAKR1C2AKR1C1AKR1C4AKR1C3

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 MAPT 4759/4885AKR1C2 2596/4885AKR1C1 2161/4885

“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.