SCHEMBL6707741

SCHEMBL6707741

O=C(CCCCc1ccccc1)Nc1cccc2cc(C(=O)Nc3ccc(Cl)cc3-c3noc(=O)[nH]3)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.40
HDAC3 O15379 5/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
GRIK1 P39086 1/20 0.39
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAOB P27338 1/20 0.38
ADORA1 P30542 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PLCG2 P16885 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
SCHEMBL6710296 0.98 ADORA3 (0.41) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL6708940 0.95 ALOX15 (0.44) HDAC1HDAC3HDAC2GRIK1ALOX15
SCHEMBL6710295 0.91 NPC1 (0.42) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL6713462 0.91 HDAC3 (0.41) HDAC1HDAC3GRIK1ALOX15PLCG2
SCHEMBL6710059 0.90 HDAC3 (0.42) HDAC1HDAC3GRIK1ALOX15PLCG2
SCHEMBL6756845 0.90 HDAC3 (0.42) HDAC1HDAC3GRIK1ALOX15PLCG2
SCHEMBL6709861 0.90 GRIK1 (0.41) GRIK1MAPK1MEN1KMT2APLCG2
SCHEMBL6710256 0.89 RAB9A (0.41) HDAC1HDAC3GRIK1MEN1KMT2A
SCHEMBL6710607 0.89 GRIK1 (0.41) HDAC1HDAC3GRIK1ALOX15PLCG2
SCHEMBL6707745 0.89 HDAC3 (0.38) HDAC1HDAC3HDAC2HDAC4HDAC7

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 HDAC1 1910/4885HDAC3 2281/4885HDAC2 2996/4885

“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.