SCHEMBL4185638

SCHEMBL4185638

CCOC(=O)CCCCn1c(-c2cscn2)nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
HSD17B10 Q99714 2/20 0.61
METAP2 P50579 1/20 0.54
METAP1 P53582 1/20 0.54
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 1/20 0.52
PTGDR2 Q9Y5Y4 2/20 0.51

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
SCHEMBL4190070 0.99 KDM4E (0.60) KDM4EHSD17B10METAP2METAP1ALDH1A1
SCHEMBL8266375 0.87 KDM4E (0.66) KDM4EHSD17B10METAP2METAP1ALDH1A1
SCHEMBL4175538 0.85 KDM4E (0.64) KDM4EHSD17B10ALDH1A1TSHRMAPK1
SCHEMBL4185155 0.84 KDM4E (0.62) KDM4EHSD17B10ALDH1A1TSHRMAPK1
SCHEMBL9622563 0.83 METAP2 (0.65) KDM4EHSD17B10METAP2METAP1ALDH1A1
SCHEMBL22965212 0.81 PTGDR2 (0.59) KDM4EHSD17B10ALDH1A1HPGDHTT
SCHEMBL9622725 0.81 METAP2 (0.68) KDM4EHSD17B10METAP2METAP1ALDH1A1
SCHEMBL8268109 0.80 PTGDR2 (0.53) KDM4EHSD17B10ALDH1A1HPGDHTT
SCHEMBL13668122 0.79 KDM4E (0.61) KDM4EHSD17B10METAP2METAP1ALDH1A1
SCHEMBL22965154 0.79 KDM4E (0.62) KDM4EHSD17B10ALDH1A1HPGDHTT

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 10 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-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
EP-1812451-A2 COMPOUNDS AND METHODS OF USE THEREOF Nuada, LLC (US) 2007-08-01 EP disclosed
WO-2006050053-A2 COMPOUNDS AND METHODS OF USE THEREOF NUADA, LLC (US) 2006-05-11 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 3385/4885METAP2 2337/4885
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF TNF, NFKBIA, IL6 KDM4E 2408/4885HSD17B10 3783/4885METAP2 3488/4885

“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.