SCHEMBL6833085

SCHEMBL6833085

N#Cc1ccc(NC(=O)c2cc3cccc(N)c3[nH]2)c(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.43
NSD2 O96028 1/20 0.41
HDAC1 Q13547 2/20 0.40
NHERF1 O14745 1/20 0.40
HTT P42858 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
GFER P55789 1/20 0.39
TYMS P04818 1/20 0.39
MAP2K1 Q02750 1/20 0.39
CDK2 P24941 1/20 0.38
HDAC3 O15379 1/20 0.38
PYGL P06737 1/20 0.38
PYGM P11217 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL6818302 0.87 NSD2 (0.58) ALBNSD2HDAC1NHERF1HRH4
SCHEMBL6830559 0.87 NHERF1 (0.45) ALBNSD2NHERF1HTTHRH4
SCHEMBL6834154 0.86 KMT2A (0.49) ALBNHERF1PKM
SCHEMBL6833137 0.85 MAP3K5 (0.44) ALBNSD2NHERF1PKM
SCHEMBL6834115 0.85 ALB (0.47) ALBGFERPKM
SCHEMBL6835708 0.85 CCKAR (0.51) NHERF1
SCHEMBL6830877 0.84 AKR1C2 (0.48) ALBNHERF1
SCHEMBL6834385 0.84 SERPINE1 (0.51) ALBNHERF1
SCHEMBL6835688 0.83 GFER (0.45) ALBNSD2NHERF1HTTGFER
SCHEMBL6830151 0.83 ALB (0.42) ALBNSD2NHERF1

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 ALB 1417/4885NSD2 3447/4885HDAC1 1902/4885

“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.