SCHEMBL6835767

SCHEMBL6835767

CC12CCC(C(=O)Nc3cccc4cc(C(=O)Nc5ccc(C#N)cc5C(=O)O)[nH]c34)(OC1=O)C2(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HTT P42858 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 3/20 0.42
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40
PTBP1 P26599 1/20 0.39
ALB P02768 1/20 0.39

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
SCHEMBL6830705 0.85 ALB (0.42) HTTKMT2APOLBALB
SCHEMBL6710449 0.85 KMT2A (0.43) ALDH1A1HTTKDM4EHSD17B10KMT2A
SCHEMBL6710291 0.84 KMT2A (0.42) ALDH1A1HTTKDM4EHSD17B10KMT2A
SCHEMBL6833137 0.80 MAP3K5 (0.44) KDM4EHSD17B10KMT2APOLBALB
SCHEMBL6834154 0.79 KMT2A (0.49) KMT2AMEN1NPC1RAB9AALB
SCHEMBL6833199 0.78 RXFP1 (0.42) HTTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL6830151 0.77 ALB (0.42) KMT2ALMNAPOLBALB
SCHEMBL6835708 0.77 CCKAR (0.51) SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6834115 0.77 ALB (0.47) ALDH1A1KMT2AMEN1TSHRCYP1A2
SCHEMBL6834472 0.77 ALB (0.43) KDM4EHSD17B10ALB

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-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 ALDH1A1 170/4885HTT 1599/4885KDM4E 1240/4885

“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.