SCHEMBL6708561

SCHEMBL6708561

Cc1ccccc1CC(=O)Nc1cccc2cc(C(=O)Nc3ccc(C#N)cc3-c3noc(=O)[nH]3)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC3 O15379 1/20 0.36
PLA2G7 Q13093 4/20 0.36
PARP14 Q460N5 2/20 0.36
CETP P11597 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL6710182 0.92 ALDH1A1 (0.40) ALDH1A1HDAC1HDAC3PLA2G7PARP14
SCHEMBL6709308 0.91 TP53 (0.41) ALDH1A1HDAC1HDAC3PLA2G7LMNA
SCHEMBL6707901 0.91 PARP14 (0.40) ALDH1A1HDAC1PLA2G7PARP14MAPK8
SCHEMBL6709207 0.89 PARP14 (0.43) NSD2ALDH1A1HDAC1HDAC3PLA2G7
SCHEMBL6711745 0.89 PLA2G7 (0.38) ALDH1A1NPC1HDAC1PLA2G7PARP14
SCHEMBL6713884 0.89 PARP14 (0.39) NSD2NPC1HDAC1PLA2G7PARP14
SCHEMBL6707664 0.89 NSD2 (0.41) NSD2ALDH1A1NPC1HDAC1HDAC3
SCHEMBL6710031 0.89 NSD2 (0.41) NSD2ALDH1A1NPC1HDAC1HDAC3
SCHEMBL6709008 0.89 MAPT (0.36) NSD2ALDH1A1HDAC1HDAC3PLA2G7
SCHEMBL6707955 0.88 PARP14 (0.41) NSD2ALDH1A1HDAC1PLA2G7PARP14

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 NSD2 3824/4885ALDH1A1 123/4885NPC1 3891/4885

“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.