SCHEMBL6710328

SCHEMBL6710328

COc1ccc(CC(=O)Nc2cccc3cc(C(=O)Nc4ccc(C#N)cc4-c4noc(=O)[nH]4)[nH]c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 3/20 0.41
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GSK3B P49841 1/20 0.37
MAPK14 Q16539 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
PLA2G7 Q13093 1/20 0.36
STK33 Q9BYT3 1/20 0.36
BRD4 O60885 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL6709985 0.94 PARP14 (0.43) PARP14MAPTKMT2AHSD17B10KDM4E
SCHEMBL6707690 0.94 POLB (0.38) PARP14MAPTKMT2AHSD17B10KDM4E
SCHEMBL6713884 0.92 PARP14 (0.39) PARP14MAPTKMT2AMAPK1PLA2G7
SCHEMBL6707672 0.92 RAB9A (0.40) MAPTGSK3BMAPK14ALDH1A1PLA2G7
SCHEMBL6707668 0.92 PARP14 (0.43) PARP14MAPTKMT2ANPSR1HSD17B10
SCHEMBL6709207 0.91 PARP14 (0.43) PARP14KDM4EALDH1A1PLA2G7HDAC1
SCHEMBL6710270 0.91 NR1H4 (0.39) PARP14ALDH1A1PLA2G7
SCHEMBL6707812 0.91 PARP14 (0.38) PARP14MAPTPLA2G7STK33BRD4
SCHEMBL6707895 0.91 PARP14 (0.39) PARP14MAPTKMT2AKDM4EL3MBTL1
SCHEMBL6710454 0.91 PARP14 (0.41) PARP14MAPTKMT2AL3MBTL1HDAC1

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 PARP14 2597/4885MAPT 4754/4885KMT2A 3181/4885

“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.