SCHEMBL6834036

SCHEMBL6834036

O=C(Nc1ccc(Br)cc1C(=O)O)c1cnc2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
AKR1C4 P17516 1/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
STING1 Q86WV6 1/20 0.51
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL6834207 0.84 RAB9A (0.72) SMN1; SMN2AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6834682 0.81 SORT1 (0.60) AKR1C4AKR1C3AKR1C2AKR1C1STING1
SCHEMBL6835698 0.78 SORT1 (0.54) SMN1; SMN2AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6835683 0.77 AKR1C2 (0.60) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL9513479 0.76 MAPT (0.80) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL6834021 0.76 MAPT (0.54) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL12756613 0.75 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL6833266 0.75 STING1 (0.50) SMN1; SMN2AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6835614 0.74 MEN1 (0.47) AKR1C4AKR1C3AKR1C2AKR1C1STING1
SCHEMBL1307557 0.74 TP53 (0.67) SMN1; SMN2AKR1C4AKR1C3AKR1C2AKR1C1

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 SMN1; SMN2 2022/4885AKR1C4 2813/4885AKR1C3 2981/4885

“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.