SCHEMBL6708802

SCHEMBL6708802

CC(=O)OCC(=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
POLB P06746 3/20 0.35
MAPT P10636 4/20 0.34
TP53 P04637 3/20 0.34
LMNA P02545 1/20 0.34
MAP3K5 Q99683 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PARP14 Q460N5 1/20 0.33
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
NSD2 O96028 1/20 0.32
PKM P14618 1/20 0.31
PLA2G7 Q13093 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NR1H4 Q96RI1 1/20 0.31

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 0.92 GAA (0.38) POLBMAPTTP53LMNAMAP3K5
SCHEMBL6709148 0.89 ALDH1A1 (0.38) POLBMAPTTP53LMNASMN1; SMN2
SCHEMBL6710063 0.89 ALB (0.35) POLBMAPTTP53LMNAMAP3K5
SCHEMBL6710380 0.89 MAP3K5 (0.43) POLBMAPTTP53LMNAMAP3K5
SCHEMBL6710239 0.89 POLB (0.39) POLBMAPTTP53LMNAMAP3K5
SCHEMBL6711789 0.88 PARP14 (0.36) POLBMAPTTP53LMNAMAP3K5
SCHEMBL6712466 0.88 GPR35 (0.39) POLBMAPTTP53LMNAMAP3K5
SCHEMBL6709018 0.88 PKM (0.35) POLBMAPTTP53LMNAMAP3K5
SCHEMBL6708969 0.88 MAP3K5 (0.37) POLBMAPTTP53LMNAMAP3K5
SCHEMBL6711757 0.88 NR1H4 (0.35) POLBMAPTTP53LMNAMAP3K5

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004018461-A2 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 POLB 626/4885MAPT 4754/4885TP53 2699/4885

“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.