SCHEMBL6712420

SCHEMBL6712420

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
GSK3B P49841 1/20 0.37
HDAC3 O15379 3/20 0.37
HDAC1 Q13547 3/20 0.37
GPR35 Q9HC97 3/20 0.37
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAP3K5 Q99683 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL6710177 0.95 MEN1 (0.41) ALDH1A1MAPTPOLBTP53LMNA
SCHEMBL6708881 0.94 HDAC3 (0.41) ALDH1A1MAPTPOLBTP53LMNA
SCHEMBL6710164 0.94 HDAC3 (0.42) ALDH1A1MAPTPOLBTP53LMNA
SCHEMBL6710310 0.94 HDAC3 (0.42) ALDH1A1MAPTPOLBTP53LMNA
SCHEMBL6710241 0.93 GPR35 (0.43) PARP14MAPTPOLBTP53LMNA
SCHEMBL6710315 0.90 POLB (0.39) PARP14ALDH1A1MAPTPOLBTP53
SCHEMBL6708158 0.90 GPR35 (0.38) MAPTPOLBTP53LMNAHDAC3
SCHEMBL6710214 0.90 HDAC3 (0.40) MAPTPOLBTP53LMNAHDAC3
SCHEMBL6709203 0.89 MMP2 (0.42) ALDH1A1MAPTLMNAHDAC3HDAC1
SCHEMBL6708559 0.89 MAP3K5 (0.38) ALDH1A1MAPTPOLBTP53LMNA

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 2597/4885ALDH1A1 123/4885MAPT 4754/4885

“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.