SCHEMBL4534169

SCHEMBL4534169

Cc1ccsc1C(=O)Nc1ccc(C(C(=O)NO)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.59
RAB9A P51151 7/20 0.55
NPC1 O15118 6/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
NAMPT P43490 1/20 0.49
GRM1 Q13255 1/20 0.47
POLB P06746 2/20 0.47
S1PR3 Q99500 1/20 0.47

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
SCHEMBL20490610 0.90 NAMPT (0.49) PKMRAB9ANPC1MEN1KMT2A
SCHEMBL1389175 0.81 PKM (0.74) PKMRAB9ANPC1MEN1KMT2A
SCHEMBL2841699 0.80 HPGD (0.63) RAB9ANPC1MEN1KMT2AHDAC3
SCHEMBL17660207 0.79 PKM (0.67) PKMRAB9ANPC1MEN1KMT2A
SCHEMBL2846324 0.79 NPC1 (0.63) RAB9ANPC1MEN1KMT2AHDAC3
SCHEMBL2839655 0.77 HDAC2 (0.66) RAB9ANPC1MEN1KMT2AHDAC3
SCHEMBL2848079 0.77 NPC1 (0.63) RAB9ANPC1MEN1KMT2AHDAC3
SCHEMBL2837576 0.77 NPC1 (0.59) RAB9ANPC1MEN1KMT2AHDAC3
SCHEMBL20490167 0.77 HDAC1 (0.53) RAB9ANPC1MEN1KMT2AHDAC3
SCHEMBL20490188 0.76 POLB (0.79) RAB9ANPC1MEN1KMT2AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP claimed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US claimed
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 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 (1 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 PKM 457/4885RAB9A 2699/4885NPC1 803/4885

“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.