SCHEMBL6713312

SCHEMBL6713312

N#Cc1ccc(NC(=O)c2cc3cccc(NC(=O)c4ccc(Br)cc4)c3[nH]2)c(-c2nnn[nH]2)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
GPR35 Q9HC97 7/20 0.36
KMT2A Q03164 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
MEN1 O00255 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC1 Q13547 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
SCHEMBL6710250 0.93 KMT2A (0.42) KMT2ANPC1RAB9ANR1H4MEN1
SCHEMBL6708817 0.93 IRAK4 (0.40) TDP1GPR35NR1H4RXFP1HIF1A
SCHEMBL6709197 0.92 IRAK4 (0.42) KMT2ANPC1RAB9ANR1H4MEN1
SCHEMBL6707952 0.91 PRSS12 (0.39) KMT2ANPC1RAB9ANR1H4MEN1
SCHEMBL6713465 0.90 GPR35 (0.43) TDP1GPR35RXFP1HIF1ANPSR1
SCHEMBL6713373 0.90 RXFP1 (0.40) GPR35KMT2ANPC1RAB9AMEN1
SCHEMBL6710380 0.90 MAP3K5 (0.43) TDP1KMT2ANPC1RAB9ANR1H4
SCHEMBL6710254 0.89 NPC1 (0.40) NPC1RAB9A
SCHEMBL6711773 0.88 KMT2A (0.48) KMT2AMEN1
SCHEMBL6709018 0.87 PKM (0.35) TDP1RXFP1HDAC1

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 TDP1 2977/4885GPR35 2928/4885KMT2A 3181/4885

“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.