SCHEMBL6712221

SCHEMBL6712221

O=C(Cc1ccc2ccccc2c1)Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3nnn[nH]3)[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RIOK2 Q9BVS4 1/20 0.42
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
NR1H4 Q96RI1 2/20 0.37
ENPP2 Q13822 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NLRP3 Q96P20 1/20 0.36
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNE1 P24864 1/20 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
SCHEMBL6710320 0.93 PARP14 (0.39) MEN1KMT2ALMNATP53POLB
SCHEMBL6707837 0.91 KMT2A (0.38) MEN1KMT2AHDAC1NR1H4L3MBTL1
SCHEMBL6707957 0.91 PARP14 (0.44) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL6710366 0.91 PARP14 (0.41) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL6708857 0.91 GPR35 (0.40) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL6709051 0.91 PARP14 (0.41) MEN1KMT2AMAPT
SCHEMBL6714087 0.91 NPY5R (0.42) MEN1KMT2ARIOK2HDAC3HDAC1
SCHEMBL6713381 0.90 NLRP3 (0.36) MEN1KMT2ANLRP3LMNATP53
SCHEMBL6710403 0.90 GPR35 (0.46) MEN1KMT2ACCNE2CCNE1CDK2
SCHEMBL6713195 0.90 MEN1 (0.42) MEN1KMT2ALMNAPOLBMAPT

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 MEN1 4100/4885KMT2A 3181/4885RIOK2 4127/4885

“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.