SCHEMBL6708982

SCHEMBL6708982

CCCCCC(=O)Nc1cccc2cc(C(=O)Nc3ccc(C#N)cc3-c3nnn[nH]3)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
HDAC3 O15379 6/20 0.39
HDAC1 Q13547 5/20 0.39
TSHR P16473 1/20 0.36
SOAT1 P35610 2/20 0.36
PTPN2 P17706 2/20 0.35
PTPN1 P18031 2/20 0.35
CDC25B P30305 2/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SPHK2 Q9NRA0 1/20 0.34
SPHK1 Q9NYA1 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
SCHEMBL6711960 0.99 HDAC3 (0.41) GSK3BHDAC3HDAC1TSHRSOAT1
SCHEMBL6708710 0.99 HDAC3 (0.41) GSK3BHDAC3HDAC1TSHRSOAT1
SCHEMBL6709996 0.98 GSK3B (0.42) GSK3BHDAC3HDAC1TSHRSOAT1
SCHEMBL6711789 0.94 PARP14 (0.36) GSK3BHDAC3HDAC1MAPTPOLB
SCHEMBL6709957 0.92 HDAC3 (0.41) GSK3BHDAC3HDAC1MAPTPOLB
SCHEMBL6710048 0.90 HDAC3 (0.38) HDAC3HDAC1
SCHEMBL6712540 0.90 HDAC3 (0.37) GSK3BHDAC3HDAC1MAPTPOLB
SCHEMBL6713469 0.89 HDAC1 (0.37) HDAC3HDAC1NPC1
SCHEMBL6708606 0.89 CYSLTR2 (0.42) MAPTPOLBLMNATP53NPC1
SCHEMBL6714199 0.88 HDAC3 (0.41) HDAC3HDAC1SOAT1PTPN2PTPN1

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 GSK3B 4467/4885HDAC3 2281/4885HDAC1 1910/4885

“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.