SCHEMBL6709018

SCHEMBL6709018

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
TP53 P04637 3/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 3/20 0.35
RXFP1 Q9HBX9 2/20 0.35
PARP14 Q460N5 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
MAP3K5 Q99683 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NSD2 O96028 1/20 0.32

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
SCHEMBL6711789 0.90 PARP14 (0.36) PKMTP53MAPTPOLBPARP14
SCHEMBL6712259 0.90 GAA (0.38) PKMTP53MAPTPOLBPARP14
SCHEMBL6711757 0.90 NR1H4 (0.35) PKMTP53MAPTPOLBRXFP1
SCHEMBL6708969 0.90 MAP3K5 (0.37) PKMTP53MAPTPOLBPARP14
SCHEMBL6711927 0.90 PARP14 (0.44) TP53MAPTPOLBPARP14LMNA
SCHEMBL6713375 0.89 PARP14 (0.39) PKMTP53MAPTPOLBRXFP1
SCHEMBL6710250 0.89 KMT2A (0.42) TP53RXFP1PARP14HDAC1NSD2
SCHEMBL6710380 0.89 MAP3K5 (0.43) PKMTP53MAPTPOLBRXFP1
SCHEMBL6709996 0.89 GSK3B (0.42) TP53MAPTPOLBRXFP1PARP14
SCHEMBL6713522 0.88 PARP14 (0.41) PKMTP53MAPTPOLBRXFP1

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 PKM 3958/4885TP53 2699/4885MAPT 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.