SCHEMBL6834682

SCHEMBL6834682

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.60
STING1 Q86WV6 1/20 0.59
MAPT P10636 3/20 0.58
AKR1C2 P52895 2/20 0.58
AKR1C1 Q04828 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
AKR1C4 P17516 1/20 0.58
AKR1C3 P42330 1/20 0.58
GAA P10253 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
TLR7 Q9NYK1 1/20 0.56
GRM5 P41594 1/20 0.56
HDAC1 Q13547 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51

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
SCHEMBL28610631 0.88 NPC1 (0.60) MAPTNPC1RAB9AGAANFKB1
SCHEMBL29643934 0.88 NPC1 (0.60) MAPTNPC1RAB9AGAANFKB1
SCHEMBL7065155 0.83 AKR1C2 (0.51) SORT1STING1MAPTAKR1C2AKR1C1
SCHEMBL6814111 0.83 SMN1; SMN2 (0.55) SORT1STING1MAPTAKR1C2AKR1C1
SCHEMBL6835683 0.82 AKR1C2 (0.60) SORT1STING1MAPTAKR1C2AKR1C1
SCHEMBL18906043 0.82 HDAC1 (0.64) NPC1RAB9AHDAC1HDAC3HDAC4
SCHEMBL5950279 0.81 SORT1 (0.68) SORT1MAPTAKR1C2AKR1C1NPC1
SCHEMBL6821934 0.81 AKR1C2 (0.53) STING1MAPTAKR1C2AKR1C1AKR1C4
SCHEMBL9513479 0.81 MAPT (0.80) MAPTAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6834036 0.81 SMN1; SMN2 (0.58) SORT1STING1MAPTAKR1C2AKR1C1

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 SORT1 2421/4885STING1 95/4885MAPT 4759/4885

“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.