SCHEMBL211620

SCHEMBL211620

CN(C)CC(=O)Nc1ccc2nc(C(S)c3ccc(C(=O)O)cc3)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.46
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CA4 P22748 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL211355 0.84 HDAC1 (0.45) SMN1; SMN2HTTCASP3SENP8SENP7
SCHEMBL211621 0.77 MAPT (0.67) MAPTHTTNPC1RAB9ALMNA
SCHEMBL214247 0.74 RAB9A (0.37) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL1066727 0.71 MAPT (0.59) CA1CA2MAPTRAB9A
SCHEMBL209386 0.67 MAPT (0.62) MAPTSMN1; SMN2LMNA
SCHEMBL12895276 0.64 SMN1; SMN2 (0.57) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL10220088 0.64 LDHA (0.68) LDHAMAPTSMN1; SMN2HTTNPC1
SCHEMBL31574397 0.64 KMT2A (0.51) MAPT
SCHEMBL23932785 0.63 LDHA (0.74) LDHAMAPTSMN1; SMN2HTTNPC1
SCHEMBL2870138 0.63 MAPT (0.51) LDHAMAPTSMN1; SMN2HTTCASP3

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 4 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
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 LDHA 912/4885CA1 2297/4885CA2 1511/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 LDHA 1243/4885CA1 2424/4885CA2 1478/4885

“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.