SCHEMBL6709308

SCHEMBL6709308

COc1ccccc1CC(=O)Nc1cccc2cc(C(=O)Nc3ccc(C#N)cc3-c3noc(=O)[nH]3)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 2/20 0.38
NPY2R P49146 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 3/20 0.38
PLA2G7 Q13093 1/20 0.37
POLB P06746 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL6708561 0.91 NSD2 (0.39) TP53HDAC3HDAC1MAPTKDM4E
SCHEMBL6710182 0.91 ALDH1A1 (0.40) HDAC3HDAC1MAPTKDM4EMEN1
SCHEMBL6707668 0.90 PARP14 (0.43) TP53MAPTKDM4EGAAMEN1
SCHEMBL6707901 0.90 PARP14 (0.40) HDAC1ALDH1A1PLA2G7MAPK8MAPK9
SCHEMBL6707838 0.89 CSNK1D (0.44) TP53HDAC3HDAC1MAPTKDM4E
SCHEMBL6710119 0.89 KDM4E (0.49) TP53HDAC3HDAC1MAPTKDM4E
SCHEMBL6710328 0.89 PARP14 (0.41) HDAC1MAPTKDM4EMEN1KMT2A
SCHEMBL6709934 0.88 TP53 (0.36) TP53HDAC3HDAC1MAPTLMNA
SCHEMBL6709207 0.88 PARP14 (0.43) HDAC3HDAC1KDM4EGAAALDH1A1
SCHEMBL6709019 0.88 GAA (0.37) TP53HDAC3HDAC1MAPTKDM4E

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 TP53 2699/4885HDAC3 2281/4885HDAC1 1910/4885

“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.