SCHEMBL6834031

SCHEMBL6834031

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
CCKAR P32238 1/20 0.40
ALB P02768 2/20 0.40
POLB P06746 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
NSD2 O96028 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL6833975 0.92 MAPK1 (0.42) MAPTMAPK1TDP1KDM4ECCKAR
SCHEMBL6833233 0.89 MAPT (0.42) MAPTMAPK1TDP1ALDH1A1POLB
SCHEMBL6833939 0.87 L3MBTL1 (0.48) MAPTMAPK1TDP1ALDH1A1ALB
SCHEMBL6830151 0.87 ALB (0.42) MAPTMAPK1TDP1CCKARALB
SCHEMBL6835677 0.86 CCKAR (0.41) MAPTMAPK1TDP1CCKARALB
SCHEMBL6833137 0.86 MAP3K5 (0.44) KDM4ECCKARALBPOLBNR1H4
SCHEMBL6833910 0.85 KDM4E (0.45) MAPTMAPK1TDP1KDM4EALDH1A1
SCHEMBL6834154 0.85 KMT2A (0.49) MAPTTDP1RAB9AALBNR1H4
SCHEMBL6835693 0.84 POLB (0.47) KDM4EALDH1A1ALBPOLBRXFP1
SCHEMBL6833081 0.84 NHERF1 (0.41) CCKARALBNR1H4NSD2RXFP1

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.