SCHEMBL6707713

SCHEMBL6707713

CC(C)n1c(C(=O)Nc2ccc(Br)cc2-c2nnn[nH]2)cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KMT2A Q03164 1/20 0.38
GPR35 Q9HC97 8/20 0.36
KDM1A O60341 1/20 0.36
DNMT3A Q9Y6K1 1/20 0.35
ROCK1 Q13464 2/20 0.35
MAP3K5 Q99683 1/20 0.35
DHODH Q02127 1/20 0.34
GRM4 Q14833 1/20 0.34
F10 P00742 1/20 0.34
HTR4 Q13639 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
SCHEMBL6710083 0.89 GRM4 (0.40) RXFP1KMT2AKDM1AROCK1MAP3K5
SCHEMBL6709025 0.88 GRM4 (0.46) HIF1ANPSR1RXFP1KMT2AROCK1
SCHEMBL6708813 0.86 TRPA1 (0.39) KMT2AKDM1AROCK1MAP3K5GRM4
SCHEMBL6712440 0.86 HIF1A (0.39) HIF1ANPSR1RXFP1KMT2AGPR35
SCHEMBL6711541 0.85 HIF1A (0.41) HIF1ANPSR1RXFP1KMT2AGPR35
SCHEMBL6712532 0.84 NPSR1 (0.41) HIF1ANPSR1RXFP1GPR35KDM1A
SCHEMBL6710425 0.82 HDAC3 (0.43) HIF1ANPSR1RXFP1GPR35GRM4
SCHEMBL6710547 0.82 GRM4 (0.41) HIF1ANPSR1RXFP1KMT2AROCK1
SCHEMBL6710237 0.82 CNR2 (0.42) HIF1ANPSR1RXFP1KMT2A
SCHEMBL6713390 0.82 GRIK1 (0.40) HIF1ANPSR1RXFP1KMT2AKDM1A

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.