SCHEMBL6709040

SCHEMBL6709040

O=C(CCCCc1ccccc1)Nc1cccc2cc(C(=O)Nc3ccc(Cl)cc3-c3nnn[nH]3)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.40
HDAC1 Q13547 5/20 0.40
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
NPY5R Q15761 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
MAOB P27338 1/20 0.37
ADORA1 P30542 1/20 0.37
NHERF1 O14745 2/20 0.36

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
SCHEMBL6713077 0.98 MEN1 (0.40) HDAC3HDAC1ALOX15MAPK1NPY5R
SCHEMBL6714114 0.94 ALOX15 (0.45) HDAC3HDAC1ALOX15MAPK1HDAC2
SCHEMBL6710374 0.91 NPC1 (0.43) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL6714199 0.90 HDAC3 (0.41) HDAC3HDAC1ALOX15MAPK1NHERF1
SCHEMBL6708820 0.90 PARP14 (0.41) MAPK1NPY5RMEN1KMT2ANHERF1
SCHEMBL6707825 0.89 HDAC3 (0.42) HDAC3HDAC1ALOX15NHERF1
SCHEMBL6708858 0.89 HDAC3 (0.42) HDAC3HDAC1ALOX15NHERF1
SCHEMBL6710343 0.89 RAB9A (0.42) HDAC3HDAC1MAPK1MEN1KMT2A
SCHEMBL6707884 0.89 HDAC3 (0.40) HDAC3HDAC1ALOX15MAPK1NHERF1
SCHEMBL6710048 0.89 HDAC3 (0.38) 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 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 HDAC3 2281/4885HDAC1 1910/4885ALOX15 857/4885

“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.