SCHEMBL6710313

SCHEMBL6710313

COC(=O)CCCCCCC(=O)Nc1cccc2cc(C(=O)Nc3ccc(Cl)cc3-c3nnn[nH]3)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.43
HDAC1 Q13547 7/20 0.43
ADORA3 P0DMS8 1/20 0.35
TP53 P04637 3/20 0.35
PLCG2 P16885 1/20 0.35
PTK2B Q14289 1/20 0.35
PTPRC P08575 2/20 0.35
MAPT P10636 2/20 0.35
PTPN13 Q12923 1/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
NHERF1 O14745 1/20 0.34

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
SCHEMBL6711639 0.98 HDAC3 (0.40) HDAC3HDAC1TP53PLCG2PTK2B
SCHEMBL6707825 0.92 HDAC3 (0.42) HDAC3HDAC1TP53PLCG2PTK2B
SCHEMBL6708858 0.92 HDAC3 (0.42) HDAC3HDAC1TP53PLCG2PTK2B
SCHEMBL6714199 0.91 HDAC3 (0.41) HDAC3HDAC1TP53PLCG2PTK2B
SCHEMBL6710257 0.91 HDAC3 (0.43) HDAC3HDAC1TP53MAPTLMNA
SCHEMBL6707884 0.91 HDAC3 (0.40) HDAC3HDAC1TP53PLCG2PTK2B
SCHEMBL6710315 0.89 POLB (0.39) HDAC3HDAC1TP53PLCG2PTK2B
SCHEMBL6709957 0.89 HDAC3 (0.41) HDAC3HDAC1TP53MAPTLMNA
SCHEMBL6710214 0.88 HDAC3 (0.40) HDAC3HDAC1TP53MAPTLMNA
SCHEMBL6714268 0.88 LMNA (0.39) HDAC3HDAC1TP53PLCG2PTK2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 HDAC3 2281/4885HDAC1 1910/4885ADORA3 3118/4885

“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.