SCHEMBL210965

SCHEMBL210965

Clc1nccc(-c2ccc(CN3CCOCC3)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.59
JAK2 O60674 3/20 0.55
PARP1 P09874 1/20 0.50
JAK3 P52333 2/20 0.49
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HDAC1 Q13547 2/20 0.48
TGFBR1 P36897 2/20 0.47
DYRK1A Q13627 1/20 0.47
MAPKAPK2 P49137 1/20 0.46
LRRK2 Q5S007 1/20 0.46
ALOX5 P09917 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 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
SCHEMBL28446714 0.81 JAK2 (0.55) JAK2JAK3MEN1KMT2ANPSR1
SCHEMBL210766 0.81 NPC1 (0.57) HRH3TGFBR1NPC1ALDH1A1RAB9A
SCHEMBL28310823 0.75 HRH3 (0.65) HRH3JAK2PARP1MEN1USP2
SCHEMBL15467001 0.74 HRH3 (0.87) HRH3MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL446317 0.74 CNR2 (0.58) ALDH1A1
SCHEMBL23275857 0.74 JAK2 (0.67) JAK2JAK3
SCHEMBL12921672 0.74 MEN1 (0.41) MEN1KMT2ADYRK1ASMN1; SMN2NPC1
SCHEMBL541291 0.73 HRH3 (0.61) HRH3JAK2PARP1MEN1USP2
SCHEMBL22262619 0.73 HRH3 (0.56) HRH3JAK2PARP1JAK3MEN1
SCHEMBL31087891 0.73 KCNH2 (0.54) HRH3PARP1DYRK1AALOX5SMN1; SMN2

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-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
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-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 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
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US 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 HRH3 1972/4885JAK2 1644/4885PARP1 59/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HRH3 2074/4885JAK2 1650/4885PARP1 79/4885

“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.