SCHEMBL2759558

SCHEMBL2759558

CCCNC(=O)Nc1nc2ccc(OC)cc2s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.71
NPC1 O15118 11/20 0.71
SMN1; SMN2 Q16637 7/20 0.71
TSHR P16473 2/20 0.71
CASP2 P42575 1/20 0.69
ABL1 P00519 2/20 0.69
HTT P42858 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C19 P33261 1/20 0.67
DYRK1A Q13627 1/20 0.67
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
MAPT P10636 3/20 0.66
LMNA P02545 1/20 0.66
POLB P06746 1/20 0.66
NFKB1 P19838 1/20 0.66
NFKB2 Q00653 1/20 0.66
RELA Q04206 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66

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 0.90 ABL1 (0.83) RAB9ANPC1SMN1; SMN2TSHRCASP2
SCHEMBL2820972 0.86 RAB9A (0.69) RAB9ANPC1SMN1; SMN2TSHRCASP2
SCHEMBL2732073 0.85 RAB9A (0.66) RAB9ANPC1SMN1; SMN2TSHRCASP2
SCHEMBL2792432 0.84 ABL1 (0.64) RAB9ANPC1SMN1; SMN2TSHRCASP2
Potassium Ion SCHEMBL2790234 0.84 ABL1 (0.66) RAB9ANPC1SMN1; SMN2TSHRCASP2
SCHEMBL20543332 0.81 CASP2 (1.00) RAB9ANPC1SMN1; SMN2TSHRCASP2
SCHEMBL12963106 0.81 RAB9A (0.63) RAB9ANPC1SMN1; SMN2TSHRCASP2
SCHEMBL4918595 0.81 NPC1 (1.00) RAB9ANPC1SMN1; SMN2TSHRCASP2
SCHEMBL2733651 0.81 RAB9A (0.70) RAB9ANPC1SMN1; SMN2TSHRCASP2
SCHEMBL213883 0.80 GSK3B (0.78) RAB9ANPC1SMN1; SMN2TSHRCASP2

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 2 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

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.