SCHEMBL6713342

SCHEMBL6713342

COc1ccc(CCCC(=O)Nc2cccc3cc(C(=O)Nc4ccc(C#N)cc4-c4nnn[nH]4)[nH]c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
HDAC1 Q13547 6/20 0.38
HDAC3 O15379 5/20 0.38
POLB P06746 1/20 0.36
GSK3B P49841 2/20 0.36
P2RX7 Q99572 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GPR35 Q9HC97 1/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
TP53 P04637 1/20 0.34
MAPK14 Q16539 1/20 0.34
BRD4 O60885 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
SCHEMBL6707721 0.92 PARP14 (0.41) HDAC1POLBGSK3BALDH1A1GPR35
SCHEMBL6713469 0.92 HDAC1 (0.37) HDAC1HDAC3NPC1
SCHEMBL6713900 0.90 GPR35 (0.44) RAB9AHDAC1HDAC3POLBNPC1
SCHEMBL6710343 0.90 RAB9A (0.42) RAB9AHDAC1HDAC3POLBNPC1
SCHEMBL6710048 0.89 HDAC3 (0.38) HDAC1HDAC3
SCHEMBL6709957 0.88 HDAC3 (0.41) HDAC1HDAC3POLBGSK3BTP53
SCHEMBL6709996 0.88 GSK3B (0.42) HDAC1HDAC3POLBGSK3BALDH1A1
SCHEMBL6714403 0.87 PARP14 (0.37) HDAC1HDAC3POLBALDH1A1
SCHEMBL6708982 0.87 GSK3B (0.40) RAB9AHDAC1HDAC3POLBGSK3B
SCHEMBL6707672 0.87 RAB9A (0.40) RAB9AHDAC1HDAC3POLBGSK3B

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 RAB9A 3732/4885HDAC1 1910/4885HDAC3 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.