SCHEMBL2733121

SCHEMBL2733121

[3H]c1ccccc1NC(=O)c1ccc(N2CCCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.70
NPC1 O15118 11/20 0.70
MAPT P10636 10/20 0.70
SMN1; SMN2 Q16637 9/20 0.70
TP53 P04637 5/20 0.70
PKM P14618 1/20 0.70
NFKB1 P19838 1/20 0.70
NFKB2 Q00653 1/20 0.70
RELA Q04206 1/20 0.70
KMT2A Q03164 6/20 0.60
MCL1 Q07820 4/20 0.60
USP2 O75604 3/20 0.60
MEN1 O00255 2/20 0.60
LMNA P02545 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
KDM4E B2RXH2 2/20 0.60
ALOX15 P16050 4/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
POLB P06746 1/20 0.59

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
SCHEMBL4251987 0.90 RAB9A (0.85) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL2354022 0.82 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL12193319 0.81 MCHR1 (0.55) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL4252909 0.78 HDAC8 (0.76) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL8769840 0.78 RAB9A (0.78) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL8770201 0.78 RAB9A (0.78) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL1535782 0.77 NPC1 (0.69) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL5084566 0.77 USP2 (0.66) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL30828596 0.77 RAB9A (0.78) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL8769429 0.77 RAB9A (0.78) RAB9ANPC1MAPTSMN1; SMN2TP53

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 3 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

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 1293/4885MAPT 3612/4885

“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.