SCHEMBL6835677

SCHEMBL6835677

CC(C)CC(=O)Nc1cccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 1/20 0.41
ALB P02768 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
NSD2 O96028 1/20 0.39
NHERF1 O14745 1/20 0.38
POLB P06746 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
SCHEMBL6830640 0.90 NR1H4 (0.40) CCKARALBMAPTMAPK1TDP1
SCHEMBL6830151 0.90 ALB (0.42) CCKARALBMAPTMAPK1TDP1
SCHEMBL6833910 0.88 KDM4E (0.45) ALBMAPTMAPK1TDP1NR1H4
SCHEMBL6833897 0.88 ALB (0.42) ALBNR1H4NSD2NHERF1POLB
SCHEMBL6833771 0.87 NR1H4 (0.43) CCKARALBNR1H4NSD2NHERF1
SCHEMBL6835807 0.87 ALB (0.41) ALBMAPTNR1H4NSD2NHERF1
SCHEMBL6830655 0.87 ALB (0.43) ALBNR1H4NSD2POLB
SCHEMBL6833137 0.87 MAP3K5 (0.44) CCKARALBNR1H4NSD2NHERF1
SCHEMBL6834031 0.86 MAPT (0.43) CCKARALBMAPTMAPK1TDP1
SCHEMBL6835693 0.86 POLB (0.47) ALBPOLB

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 CCKAR 4035/4885ALB 1417/4885MAPT 4759/4885

“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.