SCHEMBL6833233

SCHEMBL6833233

CCC(C(=O)Nc1cccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)[nH]c12)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KCNQ2 O43526 3/20 0.41
HDAC3 O15379 5/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC2 Q92769 5/20 0.41
NCOR2 Q9Y618 2/20 0.41
HDAC4 P56524 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.39
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL6833975 0.90 MAPK1 (0.42) MAPTMAPK1TDP1POLBNR1H4
SCHEMBL6834031 0.89 MAPT (0.43) MAPTMAPK1TDP1ALDH1A1POLB
SCHEMBL6833081 0.87 NHERF1 (0.41) HDAC1NR1H4
SCHEMBL6833813 0.86 CASP3 (0.41) MAPK1HDAC1POLBNR1H4
SCHEMBL6833939 0.85 L3MBTL1 (0.48) MAPTMAPK1TDP1ALDH1A1POLB
SCHEMBL6830151 0.85 ALB (0.42) MAPTMAPK1TDP1POLBNR1H4
SCHEMBL6834154 0.85 KMT2A (0.49) MAPTTDP1NR1H4
SCHEMBL6833137 0.84 MAP3K5 (0.44) POLBNR1H4
SCHEMBL6708669 0.84 KCNQ2 (0.40) MAPTMAPK1TDP1KCNQ2HDAC3
SCHEMBL6833910 0.83 KDM4E (0.45) MAPTMAPK1TDP1HDAC3HDAC1

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 MAPT 4759/4885MAPK1 2575/4885TDP1 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.