SCHEMBL6707622

SCHEMBL6707622

N#Cc1ccc(NC(=O)c2cc3cccc(NC(=O)CCCc4ccccc4)c3[nH]2)c(-c2noc(=O)[nH]2)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.37
HDAC3 O15379 4/20 0.37
PARP14 Q460N5 1/20 0.36
MMP2 P08253 3/20 0.35
MMP13 P45452 3/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL6707745 0.98 HDAC3 (0.38) HDAC1HDAC3PARP14NAMPT
SCHEMBL6711734 0.95 PARP14 (0.37) HDAC1HDAC3PARP14MMP2MMP9
SCHEMBL6707672 0.92 RAB9A (0.40) HDAC1HDAC3NPC1
SCHEMBL6709207 0.91 PARP14 (0.43) HDAC1HDAC3PARP14
SCHEMBL6711656 0.90 GSK3B (0.42) HDAC1HDAC3PARP14
SCHEMBL6710292 0.90 GSK3B (0.40) HDAC1HDAC3NPC1
SCHEMBL6713665 0.90 HDAC3 (0.41) HDAC1HDAC3NPC1
SCHEMBL6713357 0.90 HDAC3 (0.41) HDAC1HDAC3NPC1
SCHEMBL6710011 0.89 NPC1 (0.45) HDAC1HDAC3MMP2MMP13MMP9
SCHEMBL6710296 0.89 ADORA3 (0.41) HDAC1HDAC3MMP2MMP13MMP9

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 HDAC1 1910/4885HDAC3 2281/4885PARP14 2597/4885

“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.