SCHEMBL2732073

SCHEMBL2732073

COc1ccc2nc(NC(=O)NCC(C)(C)C)sc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.66
NPC1 O15118 8/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
HTT P42858 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C19 P33261 1/20 0.66
DYRK1A Q13627 1/20 0.66
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
MAPT P10636 3/20 0.65
LMNA P02545 1/20 0.65
POLB P06746 1/20 0.65
NFKB1 P19838 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
ABL1 P00519 2/20 0.64
CASP2 P42575 1/20 0.64
TSHR P16473 2/20 0.63

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
SCHEMBL1282877 0.87 ABL1 (0.83) RAB9ANPC1SMN1; SMN2HTTCYP1A2
SCHEMBL2759558 0.85 RAB9A (0.71) RAB9ANPC1SMN1; SMN2HTTCYP1A2
SCHEMBL2820972 0.85 RAB9A (0.69) RAB9ANPC1SMN1; SMN2HTTCYP1A2
SCHEMBL2733651 0.84 RAB9A (0.70) RAB9ANPC1SMN1; SMN2HTTCYP1A2
SCHEMBL2792432 0.83 ABL1 (0.64) RAB9ANPC1SMN1; SMN2HTTCYP1A2
Potassium Ion SCHEMBL2790234 0.83 ABL1 (0.66) RAB9ANPC1SMN1; SMN2HTTCYP1A2
SCHEMBL4918028 0.82 NPC1 (0.74) RAB9ANPC1SMN1; SMN2HTTCYP1A2
SCHEMBL12932850 0.81 RAB9A (0.60) RAB9ANPC1SMN1; SMN2HTTCYP1A2
SCHEMBL19844610 0.80 DYRK1A (0.76) RAB9ANPC1SMN1; SMN2HTTCYP1A2
SCHEMBL4918595 0.80 NPC1 (1.00) RAB9ANPC1SMN1; SMN2HTTCYP1A2

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-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 RAB9A 3036/4885NPC1 1293/4885SMN1; SMN2 3557/4885

“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.