SCHEMBL6710063

SCHEMBL6710063

COCCOCCOCC(=O)Nc1cccc2cc(C(=O)Nc3ccc(C#N)cc3-c3nnn[nH]3)[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.35
TP53 P04637 2/20 0.34
KDR P35968 5/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
CSF1R P07333 1/20 0.33
KIT P10721 1/20 0.33
FLT1 P17948 1/20 0.33
FLT3 P36888 1/20 0.33
TEK Q02763 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
MAP3K5 Q99683 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
CHEK1 O14757 1/20 0.32
GAA P10253 1/20 0.32
PARP14 Q460N5 1/20 0.32

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
SCHEMBL6712259 0.93 GAA (0.38) TP53POLBMAPTLMNAHDAC3
SCHEMBL6708802 0.89 POLB (0.35) TP53POLBMAPTLMNAHDAC3
SCHEMBL6709867 0.89 GPR35 (0.39) TP53POLBMAPTLMNAHDAC3
SCHEMBL6713400 0.89 TP53 (0.35) TP53POLBMAPTLMNAHDAC3
SCHEMBL6820655 0.88 GAA (0.34) TP53POLBMAPTLMNAHDAC3
SCHEMBL6713713 0.88 ADORA3 (0.37) TP53POLBMAPTLMNAADORA3
SCHEMBL6709148 0.87 ALDH1A1 (0.38) TP53POLBMAPTLMNAADORA3
SCHEMBL6711789 0.86 PARP14 (0.36) TP53POLBMAPTLMNAHDAC3
SCHEMBL6708856 0.86 ALB (0.35) ALBTP53KDRPOLBMAPT
SCHEMBL6709018 0.86 PKM (0.35) TP53POLBMAPTLMNAHDAC3

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 ALB 1298/4885TP53 2699/4885KDR 3770/4885

“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.