SCHEMBL6710055

SCHEMBL6710055

N#Cc1cccc(C(=O)Nc2cccc3cc(C(=O)Nc4ccc(C#N)cc4-c4noc(=O)[nH]4)[nH]c23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.41
GRM5 P41594 2/20 0.39
PDE10A Q9Y233 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
KMT2A Q03164 2/20 0.37
NR1H4 Q96RI1 1/20 0.37
BRAF P15056 2/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC1 Q13547 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
S1PR3 Q99500 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KAT6A Q92794 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
SCHEMBL6708854 0.96 KMT2A (0.42) IRAK4PDE10ARXFP1KMT2ANR1H4
SCHEMBL6710389 0.94 MEN1 (0.40) IRAK4GRM5RXFP1KMT2ABRAF
SCHEMBL6709159 0.94 TP53 (0.39) IRAK4GRM5RXFP1KMT2AMEN1
SCHEMBL6708809 0.94 IRAK4 (0.39) IRAK4GRM5PDE10ARXFP1NR1H4
SCHEMBL6711406 0.92 GRIK1 (0.38) RXFP1KMT2ANR1H4MEN1HDAC1
SCHEMBL6711934 0.92 PRSS12 (0.39) RXFP1KMT2ANR1H4MEN1S1PR3
SCHEMBL6711762 0.91 MAP3K5 (0.41) RXFP1KMT2ANR1H4ALDH1A1PKM
SCHEMBL6713406 0.90 NPC1 (0.41) NPC1RAB9APLA2G7
SCHEMBL6710226 0.90 TP53 (0.43) KMT2ANR1H4MEN1NPC1RAB9A
SCHEMBL6714034 0.89 KMT2A (0.47) KMT2AMEN1CYP1A2CYP3A4CYP2D6

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 IRAK4 1592/4885GRM5 4139/4885PDE10A 4295/4885

“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.