SCHEMBL13668124

SCHEMBL13668124

OB(O)CCCCCn1c(-c2ccncc2)nc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TP53 P04637 2/20 0.48
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
NOD2 Q9HC29 1/20 0.46
HPGD P15428 1/20 0.46
P2RX7 Q99572 1/20 0.46
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 2/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.44
PDE6D O43924 1/20 0.44
ALDH2 P05091 1/20 0.44
ALDH3A1 P30838 1/20 0.44

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
SCHEMBL13668121 0.99 MEN1 (0.52) MEN1KMT2ATP53DRD2DRD3
SCHEMBL13668158 0.91 HPGD (0.56) TP53DRD2DRD3HPGDP2RX7
SCHEMBL13668139 0.90 HPGD (0.57) TP53DRD2DRD3HPGDP2RX7
SCHEMBL13668123 0.87 MAPT (0.54) TP53DRD2DRD3HPGDP2RX7
SCHEMBL13668125 0.86 DRD2 (0.48) KMT2ATP53DRD2DRD3HPGD
SCHEMBL13668118 0.85 MAPT (0.55) TP53HPGDP2RX7KDM4EHSD17B10
SCHEMBL4175499 0.83 KDM4E (0.67) MEN1KMT2ATP53DRD2DRD3
SCHEMBL24567370 0.83 TP53 (0.68) MEN1KMT2ATP53DRD2DRD3
SCHEMBL13668127 0.82 KDM4E (0.68) MEN1KMT2ATP53DRD2DRD3
SCHEMBL8266352 0.82 DRD2 (0.47) TP53DRD2DRD3HPGDKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA, INC. (US) 2009-10-22 US disclosed
US-20090005344-A1 Compounds and Methods of Use Thereof NKUADA, LLC (US) 2009-01-01 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 (2 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-20090005344-A1 Compounds and Methods of Use Thereof TNF, IL1B, TNFRSF1A MEN1 1183/4885KMT2A 4122/4885TP53 441/4885
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF TNF, NFKBIA, IL6 MEN1 2063/4885KMT2A 2527/4885TP53 327/4885

“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.