SCHEMBL6833128

SCHEMBL6833128

N#Cc1ccc(NC(=O)c2cccc(Br)n2)c(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ALB P02768 2/20 0.44
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
AKR1C4 P17516 2/20 0.43
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
AKR1C1 Q04828 2/20 0.43
MAPT P10636 2/20 0.43
GRM4 Q14833 1/20 0.43
ABL1 P00519 1/20 0.43
TSHR P16473 1/20 0.43
RIN1 Q13671 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
STING1 Q86WV6 1/20 0.41

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
SCHEMBL30736354 0.84 PKM (0.49) GRM5CA1CA2MAPTGRM4
SCHEMBL26986282 0.84 PKM (0.49) GRM5CA1CA2MAPTGRM4
SCHEMBL6835683 0.84 AKR1C2 (0.60) GRM5CA1CA2MEN1KMT2A
SCHEMBL6833859 0.81 GRM4 (0.61) HTTKMT2AMAPTGRM4ALDH1A1
SCHEMBL6833642 0.80 RAB9A (0.67) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL6835589 0.78 PYGL (0.50) ALBHTTMEN1KMT2AALDH1A1
SCHEMBL6353963 0.77 KMT2A (0.62) ALBHTTMEN1KMT2AAKR1C4
SCHEMBL6914592 0.76 XDH (0.37) GRM5ALBHTTGRM4ALDH1A1
SCHEMBL6352338 0.76 KMT2A (0.57) ALBMEN1KMT2APKMNPC1
SCHEMBL6350942 0.76 GFER (0.70) HTTMEN1KMT2AMAPTALDH1A1

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 GRM5 4081/4885CA1 2993/4885CA2 2212/4885

“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.