SCHEMBL6714403

SCHEMBL6714403

N#Cc1ccc(NC(=O)c2cc3cccc(NC(=O)CCc4ccccc4)c3[nH]2)c(-c2nnn[nH]2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.37
HDAC3 O15379 3/20 0.35
HDAC1 Q13547 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PLCG2 P16885 1/20 0.35
CCKAR P32238 3/20 0.34
CCKBR P32239 3/20 0.34
POLB P06746 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
SELL P14151 1/20 0.34
SELP P16109 1/20 0.34
SELE P16581 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 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
SCHEMBL6713469 0.95 HDAC1 (0.37) PARP14HDAC3HDAC1MMP2MMP9
SCHEMBL6710048 0.95 HDAC3 (0.38) PARP14HDAC3HDAC1MMP2MMP9
SCHEMBL6711927 0.92 PARP14 (0.44) PARP14POLB
SCHEMBL6916001 0.90 PARP14 (0.42) PARP14HDAC3HDAC1POLBHDAC2
SCHEMBL6711789 0.90 PARP14 (0.36) PARP14HDAC3HDAC1ALDH1A1POLB
SCHEMBL6707635 0.89 CCKAR (0.38) PARP14ALDH1A1CCKARCCKBR
SCHEMBL6713713 0.89 ADORA3 (0.37) PARP14CCKARCCKBRPOLBADORA3
SCHEMBL6710250 0.89 KMT2A (0.42) PARP14HDAC1
SCHEMBL6709996 0.88 GSK3B (0.42) PARP14HDAC3HDAC1ALDH1A1POLB
SCHEMBL6714114 0.88 ALOX15 (0.45) HDAC3HDAC1PLCG2HDAC2NCOR2

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 PARP14 2597/4885HDAC3 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.