SCHEMBL6709996

SCHEMBL6709996

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
TSHR P16473 1/20 0.39
HDAC3 O15379 5/20 0.38
HDAC1 Q13547 4/20 0.38
MAPT P10636 2/20 0.35
POLB P06746 2/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAP3K5 Q99683 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PARP14 Q460N5 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SOAT1 P35610 2/20 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
SCHEMBL6708982 0.98 GSK3B (0.40) GSK3BTSHRHDAC3HDAC1MAPT
SCHEMBL6711960 0.97 HDAC3 (0.41) GSK3BTSHRHDAC3HDAC1MAPT
SCHEMBL6708710 0.97 HDAC3 (0.41) GSK3BTSHRHDAC3HDAC1MAPT
SCHEMBL6711789 0.95 PARP14 (0.36) GSK3BHDAC3HDAC1MAPTPOLB
SCHEMBL6709957 0.91 HDAC3 (0.41) GSK3BHDAC3HDAC1MAPTPOLB
SCHEMBL6712540 0.91 HDAC3 (0.37) GSK3BHDAC3HDAC1MAPTPOLB
SCHEMBL6713469 0.90 HDAC1 (0.37) HDAC3HDAC1PARP14MEN1KMT2A
SCHEMBL6708606 0.90 CYSLTR2 (0.42) MAPTPOLBTP53LMNARXFP1
SCHEMBL6710048 0.89 HDAC3 (0.38) HDAC3HDAC1PARP14
SCHEMBL6709018 0.89 PKM (0.35) HDAC3HDAC1MAPTPOLBTP53

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 GSK3B 4467/4885TSHR 3901/4885HDAC3 2281/4885

“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.