SCHEMBL6833786

SCHEMBL6833786

Cn1nc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.55
AKR1C2 P52895 2/20 0.49
AKR1C1 Q04828 2/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
STING1 Q86WV6 1/20 0.48
TRPM2 O94759 1/20 0.47
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.45
DNMT3A Q9Y6K1 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL6834198 0.90 ALDH1A1 (0.54) GRM5MAPTNPC1HPGDNFKB1
SCHEMBL6834032 0.88 CHRNB2 (0.48) GRM5AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6834328 0.80 AKR1C2 (0.48) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6834037 0.80 PHGDH (0.52) AKR1C2AKR1C1AKR1C4AKR1C3STING1
SCHEMBL28952698 0.77 SMPD1 (0.62) GRM5MMETRPV4
SCHEMBL6834682 0.75 SORT1 (0.60) GRM5AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6813965 0.75 MEN1 (0.72) AKR1C2AKR1C1AKR1C4AKR1C3MAPT
SCHEMBL570061 0.74 RPA1 (0.63) GRM5MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL6353351 0.74 SERPINE1 (0.71) AKR1C2AKR1C1AKR1C4AKR1C3TRPM2
SCHEMBL2552942 0.73 GRM5 (0.61) GRM5MEN1KMT2AMMETRPV4

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 disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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 4081/4885AKR1C2 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.