SCHEMBL6833975

SCHEMBL6833975

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALB P02768 2/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
CCKAR P32238 1/20 0.39
NSD2 O96028 1/20 0.39
NHERF1 O14745 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
SCHEMBL6833939 0.93 L3MBTL1 (0.48) MAPK1MAPTTDP1ALBPOLB
SCHEMBL6834031 0.92 MAPT (0.43) MAPK1MAPTTDP1ALBPOLB
SCHEMBL6833233 0.90 MAPT (0.42) MAPK1MAPTTDP1POLBNR1H4
SCHEMBL6830151 0.88 ALB (0.42) MAPK1MAPTTDP1ALBPOLB
SCHEMBL6833137 0.87 MAP3K5 (0.44) ALBPOLBRXFP1KDM4ENR1H4
SCHEMBL6833910 0.86 KDM4E (0.45) MAPK1MAPTTDP1ALBPOLB
SCHEMBL6834154 0.86 KMT2A (0.49) MAPTTDP1ALBRXFP1NR1H4
SCHEMBL6835677 0.85 CCKAR (0.41) MAPK1MAPTTDP1ALBPOLB
SCHEMBL6835693 0.85 POLB (0.47) ALBPOLBRXFP1KDM4E
SCHEMBL6833081 0.85 NHERF1 (0.41) ALBRXFP1NR1H4CCKARNSD2

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 MAPK1 2575/4885MAPT 4759/4885TDP1 2738/4885

“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.