SCHEMBL6830705

SCHEMBL6830705

CC1(C(=O)Nc2cccc3cc(C(=O)Nc4ccc(C#N)cc4C(=O)O)[nH]c23)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
NHERF1 O14745 1/20 0.40
CCKAR P32238 1/20 0.39
NSD2 O96028 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.36

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
SCHEMBL6833137 0.87 MAP3K5 (0.44) ALBNR1H4NHERF1CCKARNSD2
SCHEMBL6834154 0.86 KMT2A (0.49) ALBNR1H4NHERF1RXFP1KMT2A
SCHEMBL6835767 0.85 ALDH1A1 (0.48) ALBPOLBKMT2AHTT
SCHEMBL6833199 0.85 RXFP1 (0.42) ALBNR1H4NHERF1RXFP1KMT2A
SCHEMBL6835688 0.84 GFER (0.45) ALBNR1H4NHERF1CCKARNSD2
SCHEMBL6830151 0.84 ALB (0.42) ALBNR1H4NHERF1CCKARNSD2
SCHEMBL6835708 0.84 CCKAR (0.51) NHERF1CCKAR
SCHEMBL6834115 0.84 ALB (0.47) ALBNR1H4RXFP1KMT2AGFER
SCHEMBL6834472 0.83 ALB (0.43) ALBNR1H4NHERF1NSD2RXFP1
SCHEMBL6830877 0.83 AKR1C2 (0.48) ALBNR1H4NHERF1RXFP1KMT2A

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 1417/4885NR1H4 1201/4885NHERF1 1142/4885

“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.