SCHEMBL6709025

SCHEMBL6709025

Cn1c(C(=O)Nc2ccc(Br)cc2-c2nnn[nH]2)cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.46
HIF1A Q16665 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ROCK1 Q13464 2/20 0.44
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.40
MAP3K5 Q99683 1/20 0.40
LCK P06239 3/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
IMPDH2 P12268 1/20 0.39

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
SCHEMBL6710547 0.94 GRM4 (0.41) GRM4HIF1ANPSR1RXFP1ROCK1
SCHEMBL6713768 0.90 HIF1A (0.40) GRM4HIF1ANPSR1RXFP1ROCK1
SCHEMBL6713205 0.88 GRM4 (0.52) GRM4RXFP1ROCK1LMNAMEN1
SCHEMBL6712532 0.88 NPSR1 (0.41) HIF1ANPSR1RXFP1
SCHEMBL6707713 0.88 HIF1A (0.41) GRM4HIF1ANPSR1RXFP1ROCK1
SCHEMBL6711541 0.88 HIF1A (0.41) HIF1ANPSR1RXFP1ROCK1MEN1
SCHEMBL6707869 0.87 HIF1A (0.41) GRM4HIF1ANPSR1RXFP1ROCK1
SCHEMBL6708968 0.87 HIF1A (0.41) GRM4HIF1ANPSR1RXFP1LMNA
SCHEMBL6710425 0.86 HDAC3 (0.43) GRM4HIF1ANPSR1RXFP1MCL1
SCHEMBL6710237 0.86 CNR2 (0.42) HIF1ANPSR1RXFP1LMNAMEN1

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 GRM4 4668/4885HIF1A 296/4885NPSR1 2999/4885

“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.