SCHEMBL6710164

SCHEMBL6710164

CCCCCCCC(=O)Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3nnn[nH]3)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.42
HDAC1 Q13547 5/20 0.42
PTPN2 P17706 3/20 0.39
PTPN1 P18031 3/20 0.39
CDC25B P30305 3/20 0.39
PTPN6 P29350 2/20 0.39
PTPN11 Q06124 2/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
SOAT1 P35610 2/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CETP P11597 1/20 0.35
GPR35 Q9HC97 1/20 0.35

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
SCHEMBL6710310 1.00 HDAC3 (0.42) HDAC3HDAC1PTPN2PTPN1CDC25B
SCHEMBL6708881 0.99 HDAC3 (0.41) HDAC3HDAC1PTPN2PTPN1CDC25B
SCHEMBL6710177 0.97 MEN1 (0.41) HDAC3HDAC1PTPN2PTPN1CDC25B
SCHEMBL6712420 0.94 PARP14 (0.38) HDAC3HDAC1MEN1ALDH1A1KMT2A
SCHEMBL6710257 0.92 HDAC3 (0.43) HDAC3HDAC1PTPN2PTPN1CDC25B
SCHEMBL6707825 0.91 HDAC3 (0.42) HDAC3HDAC1PTPN2PTPN1CDC25B
SCHEMBL6708858 0.91 HDAC3 (0.42) HDAC3HDAC1PTPN2PTPN1CDC25B
SCHEMBL6710241 0.90 GPR35 (0.43) KMT2APOLBLMNATP53MAPT
SCHEMBL6710214 0.90 HDAC3 (0.40) HDAC3HDAC1POLBLMNATP53
SCHEMBL6714199 0.90 HDAC3 (0.41) HDAC3HDAC1PTPN2PTPN1CDC25B

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 1910/4885PTPN2 3768/4885

“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.