SCHEMBL6710196

SCHEMBL6710196

Cn1c(C(=O)Nc2ccc(Br)cc2-c2nnn[nH]2)cc2cccc(OC[C@H](O)CO)c21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
GPR35 Q9HC97 7/20 0.33
BACE1 P56817 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
MAP2K1 Q02750 2/20 0.31
TP53 P04637 1/20 0.31
GRM5 P41594 1/20 0.30
CSF1R P07333 1/20 0.30

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
SCHEMBL6710199 1.00 HIF1A (0.35) HIF1ANPSR1RXFP1LMNAMAPT
SCHEMBL6713995 0.92 NR2E1 (0.36) HIF1ANPSR1RXFP1LMNAMAPT
SCHEMBL6710121 0.91 IRAK4 (0.39) RXFP1LMNAMAPTKDM4EMEN1
SCHEMBL6710113 0.91 IRAK4 (0.39) RXFP1LMNAMAPTKDM4EMEN1
SCHEMBL6918952 0.89 MAPK14 (0.31)
SCHEMBL6710200 0.89 ALK (0.38) RXFP1LMNAMAPTKDM4EMEN1
SCHEMBL6710191 0.89 ALK (0.38) RXFP1LMNAMAPTKDM4EMEN1
SCHEMBL6712280 0.88 NPSR1 (0.36) HIF1ANPSR1RXFP1LMNAMAPT
SCHEMBL6710598 0.86 MAPT (0.36) HIF1ANPSR1RXFP1LMNAMAPT
SCHEMBL6711695 0.86 HIF1A (0.39) HIF1ANPSR1RXFP1LMNAMAPT

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.