SCHEMBL6709863

SCHEMBL6709863

Cn1c(C(=O)Nc2ccc(Br)cc2-c2nnn[nH]2)cc2cccc(-c3ccccc3C(F)(F)F)c21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GPR35 Q9HC97 9/20 0.36
KMT2A Q03164 1/20 0.34
PTGFR P43088 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HSD11B1 P28845 3/20 0.32
BACE1 P56817 2/20 0.32
LMNA P02545 1/20 0.32
NTRK1 P04629 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
SCHEMBL6711396 0.90 HSD11B1 (0.38) RXFP1HSD11B1
SCHEMBL6712008 0.89 HIF1A (0.40) HIF1ANPSR1RXFP1GPR35KMT2A
SCHEMBL6710507 0.88 HIF1A (0.42) HIF1ANPSR1RXFP1GPR35KMT2A
SCHEMBL6707965 0.88 NTRK1 (0.35) RXFP1KMT2AHSD11B1NTRK1
SCHEMBL6710170 0.88 NPSR1 (0.43) HIF1ANPSR1RXFP1GPR35KMT2A
SCHEMBL6711744 0.86 GPR35 (0.42) HIF1ANPSR1RXFP1GPR35KMT2A
SCHEMBL6711759 0.86 HIF1A (0.37) HIF1ANPSR1RXFP1GPR35PTGFR
SCHEMBL6708968 0.85 HIF1A (0.41) HIF1ANPSR1RXFP1GPR35KMT2A
SCHEMBL6713815 0.85 HIF1A (0.41) HIF1ANPSR1RXFP1GPR35KMT2A
SCHEMBL6710074 0.84 GRIK1 (0.38) HIF1ANPSR1RXFP1GPR35KMT2A

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 HIF1A 296/4885NPSR1 2999/4885RXFP1 3836/4885

“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.