SCHEMBL6834088

SCHEMBL6834088

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.46
HDAC1 Q13547 7/20 0.46
ALB P02768 2/20 0.41
NR1H4 Q96RI1 1/20 0.40
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
CDC25B P30305 1/20 0.37
PTPN11 Q06124 1/20 0.37
POLB P06746 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6834218 0.97 HDAC3 (0.42) HDAC3HDAC1ALBNR1H4POLB
SCHEMBL6834575 0.92 PTPN2 (0.46) HDAC3HDAC1PTPN2PTPN1PTPN6
SCHEMBL6834131 0.92 PTPN2 (0.46) HDAC3HDAC1PTPN2PTPN1PTPN6
SCHEMBL6833331 0.91 PTPN2 (0.44) HDAC3HDAC1PTPN2PTPN1PTPN6
SCHEMBL6835807 0.91 ALB (0.41) HDAC3HDAC1ALBNR1H4POLB
SCHEMBL6835693 0.90 POLB (0.47) HDAC3HDAC1ALBPTPN2PTPN1
SCHEMBL6833910 0.88 KDM4E (0.45) HDAC3HDAC1ALBNR1H4PTPN2
SCHEMBL6834149 0.87 HCAR2 (0.48) HDAC3HDAC1HCAR2
SCHEMBL6830655 0.87 ALB (0.43) ALBNR1H4POLBHCAR2
SCHEMBL6830691 0.86 PLK1 (0.47) HDAC3HDAC1ALBPOLBHCAR2

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 HDAC3 1562/4885HDAC1 1902/4885ALB 1417/4885

“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.