SCHEMBL4175508

SCHEMBL4175508

OB(O)CCCCCn1c(-c2cscn2)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
HSD17B10 Q99714 1/20 0.60
MAPT P10636 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
METAP2 P50579 1/20 0.55
METAP1 P53582 1/20 0.55
MAPK1 P28482 2/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
BRD4 O60885 1/20 0.50
KCNH2 Q12809 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.48

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
SCHEMBL13668122 0.99 KDM4E (0.61) KDM4EHSD17B10MAPTNPSR1METAP2
SCHEMBL9622563 0.82 METAP2 (0.65) KDM4EHSD17B10MAPTNPSR1METAP2
SCHEMBL8266375 0.82 KDM4E (0.66) KDM4EHSD17B10MAPTNPSR1METAP2
SCHEMBL4185155 0.81 KDM4E (0.62) KDM4EHSD17B10MAPTMAPK1MEN1
SCHEMBL13668143 0.81 L3MBTL1 (0.62) KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL4175538 0.80 KDM4E (0.64) KDM4EHSD17B10MAPTMAPK1MEN1
SCHEMBL4190070 0.80 KDM4E (0.60) KDM4EHSD17B10MAPTNPSR1METAP2
SCHEMBL13668158 0.79 HPGD (0.56) KDM4EHSD17B10MAPTALDH1A1LMNA
SCHEMBL9622725 0.79 METAP2 (0.68) KDM4EHSD17B10MAPTNPSR1METAP2
SCHEMBL13668124 0.79 MEN1 (0.51) KDM4EHSD17B10NPSR1MEN1KMT2A

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 11 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 claimed
US-20090005344-A1 Compounds and Methods of Use Thereof NKUADA, LLC (US) 2009-01-01 US claimed
WO-2007134169-A9 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA LLC (US) 2008-07-24 WO claimed
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-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-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
US-20090005344-A1 Compounds and Methods of Use Thereof NKUADA, LLC (US) 2009-01-01 US disclosed
US-20090005344-A1 Compounds and Methods of Use Thereof NKUADA, LLC (US) 2009-01-01 US disclosed
WO-2007134169-A9 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA LLC (US) 2008-07-24 WO disclosed
WO-2006050053-A2 COMPOUNDS AND METHODS OF USE THEREOF NUADA, LLC (US) 2006-05-11 WO 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 KDM4E 3858/4885HSD17B10 3385/4885MAPT 3106/4885
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF TNF, NFKBIA, IL6 KDM4E 2408/4885HSD17B10 3783/4885MAPT 1468/4885

“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.