SCHEMBL6835834

SCHEMBL6835834

Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2cccc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)c21

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALB P02768 8/20 0.64
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
THRB P10828 1/20 0.51
GAA P10253 2/20 0.51
TP53 P04637 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL6353328 0.88 ALB (0.81) ALBALDH1A1MEN1KMT2ATHRB
SCHEMBL6714088 0.84 THRB (0.46) ALBALDH1A1MEN1KMT2ATHRB
SCHEMBL6709196 0.84 THRB (0.46) ALBALDH1A1MEN1KMT2ATHRB
SCHEMBL6833959 0.84 ALB (0.49) ALBALDH1A1MEN1KMT2APOLB
SCHEMBL6835696 0.83 ALB (0.70) ALBALDH1A1MEN1KMT2ATHRB
SCHEMBL6357224 0.81 ALB (0.66) ALBALDH1A1MEN1KMT2ATHRB
SCHEMBL6354039 0.81 TP53 (0.69) ALBALDH1A1GAATP53SMN1; SMN2
SCHEMBL6359330 0.81 TP53 (0.72) ALBALDH1A1MEN1KMT2AGAA
SCHEMBL6707651 0.80 ALB (0.67) ALBALDH1A1MEN1KMT2ATHRB
SCHEMBL6348611 0.80 ALB (0.69) ALBALDH1A1MEN1KMT2ATHRB

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 3 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
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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 ALB 1417/4885ALDH1A1 170/4885MEN1 4132/4885

“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.