SCHEMBL210918

SCHEMBL210918

CN(C)CCOc1cc2[nH]c(S)nc2cc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.39
HTR1B P28222 1/20 0.35
TDO2 P48775 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HTR7 P34969 3/20 0.33
ROCK2 O75116 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KDR P35968 1/20 0.32
EGFR P00533 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
MAOA P21397 1/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL8428958 0.77 AMY1A (0.37) KDM4EEGLN1
SCHEMBL20982546 0.76 CHEK2 (0.53) ACHEHRH4KDM4EKDR
SCHEMBL21017900 0.76 CHEK2 (0.43) ACHEHRH4KDM4EEGLN1
SCHEMBL210571 0.73 MLKL (0.39) ROCK2KDM4EKDREGLN1
SCHEMBL12963256 0.71 ALOX5 (0.44) HRH4
SCHEMBL4553035 0.71 FLT3 (0.41) ACHEHTR1BHTR7KDM4E
SCHEMBL213270 0.71 KDM4E (0.49) HRH4KDM4EEGLN1
SCHEMBL20982776 0.71 HRH4 (0.46) ACHETDO2HRH4KDM4E
SCHEMBL210572 0.71 ALOX5 (0.61) KDM4E
SCHEMBL10333342 0.69 LMNA (0.39) KDM4EEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 ACHE 3428/4885HTR1B 4542/4885TDO2 3792/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 ACHE 3542/4885HTR1B 4458/4885TDO2 4027/4885

“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.