SCHEMBL6710048

SCHEMBL6710048

N#Cc1ccc(NC(=O)c2cc3cccc(NC(=O)CCCCc4ccccc4)c3[nH]2)c(-c2nnn[nH]2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.38
HDAC1 Q13547 5/20 0.38
PARP14 Q460N5 1/20 0.38
CYSLTR2 Q9NS75 2/20 0.35
CYSLTR1 Q9Y271 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
NAMPT P43490 1/20 0.34
ABCC4 O15439 1/20 0.34
ABCB11 O95342 1/20 0.34
PGR P06401 1/20 0.34
HTR1A P08908 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
SCHEMBL6713469 0.98 HDAC1 (0.37) HDAC3HDAC1PARP14HDAC4HDAC7
SCHEMBL6714403 0.95 PARP14 (0.37) HDAC3HDAC1PARP14HDAC2MMP2
SCHEMBL6708982 0.90 GSK3B (0.40) HDAC3HDAC1
SCHEMBL6711927 0.90 PARP14 (0.44) PARP14
SCHEMBL6711960 0.90 HDAC3 (0.41) HDAC3HDAC1
SCHEMBL6708710 0.90 HDAC3 (0.41) HDAC3HDAC1
SCHEMBL6709996 0.89 GSK3B (0.42) HDAC3HDAC1PARP14
SCHEMBL6713342 0.89 RAB9A (0.40) HDAC3HDAC1
SCHEMBL6710374 0.89 NPC1 (0.43) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL6709040 0.89 HDAC3 (0.40) HDAC3HDAC1HDAC4HDAC7HDAC2

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 HDAC3 2281/4885HDAC1 1910/4885PARP14 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.