SCHEMBL6835807

SCHEMBL6835807

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.41
POLB P06746 2/20 0.40
NR1H4 Q96RI1 1/20 0.39
NSD2 O96028 1/20 0.39
TP53 P04637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NHERF1 O14745 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 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
SCHEMBL6833809 0.92 POLB (0.45) ALBPOLBNR1H4NSD2TP53
SCHEMBL6834218 0.91 HDAC3 (0.42) ALBPOLBNR1H4NSD2TP53
SCHEMBL6830655 0.91 ALB (0.43) ALBPOLBNR1H4NSD2TP53
SCHEMBL6834088 0.91 HDAC3 (0.46) ALBPOLBNR1H4HDAC3HDAC1
SCHEMBL6830151 0.90 ALB (0.42) ALBPOLBNR1H4NSD2TP53
SCHEMBL6833910 0.88 KDM4E (0.45) ALBPOLBNR1H4NSD2RXFP1
SCHEMBL6833897 0.88 ALB (0.42) ALBPOLBNR1H4NSD2RXFP1
SCHEMBL6833143 0.88 ALDH1A1 (0.41) ALBPOLBNR1H4NSD2RXFP1
SCHEMBL6833771 0.87 NR1H4 (0.43) ALBPOLBNR1H4NSD2RXFP1
SCHEMBL6835677 0.87 CCKAR (0.41) ALBPOLBNR1H4NSD2NHERF1

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 ALB 1417/4885POLB 637/4885NR1H4 1201/4885

“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.