SCHEMBL6709020

SCHEMBL6709020

CC1(C(=O)Nc2cccc3cc(C(=O)Nc4ccc(C#N)cc4-c4noc(=O)[nH]4)[nH]c23)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.35
PLA2G7 Q13093 1/20 0.34
NSD2 O96028 1/20 0.34
CSF1R P07333 4/20 0.33
NR1H4 Q96RI1 1/20 0.33
TP53 P04637 3/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
POLB P06746 3/20 0.32
GRM5 P41594 1/20 0.32
MAP3K5 Q99683 1/20 0.32
LMNA P02545 2/20 0.32
BACE1 P56817 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 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
SCHEMBL6711762 0.89 MAP3K5 (0.41) PLA2G7NSD2NR1H4TP53POLB
SCHEMBL6710449 0.88 KMT2A (0.43) POLBLMNA
SCHEMBL6710492 0.88 GRIK1 (0.41) RARAPLA2G7NSD2TP53POLB
SCHEMBL6711696 0.88 GRIK1 (0.39) RARANSD2TP53POLBMAP3K5
SCHEMBL6707720 0.87 MEN1 (0.36) PLA2G7TP53LMNA
SCHEMBL6708854 0.87 KMT2A (0.42) PLA2G7NSD2NR1H4MAPTPKM
SCHEMBL6709008 0.86 MAPT (0.36) PLA2G7NSD2TP53POLBMAP3K5
SCHEMBL6713406 0.86 NPC1 (0.41) PLA2G7LMNA
SCHEMBL6710055 0.86 IRAK4 (0.41) PLA2G7NR1H4GRM5PKM
SCHEMBL6713424 0.86 GSK3B (0.40) PLA2G7NSD2TP53MAPTPKM

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 RARA 182/4885PLA2G7 3314/4885NSD2 3824/4885

“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.