SCHEMBL2733408

SCHEMBL2733408

CC(C)(C)c1cccc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.40
HSD11B1 P28845 1/20 0.40
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL7814795 0.82 MEN1 (0.60) CNR2RAB9AMAPTL3MBTL1ALDH1A1
SCHEMBL26700331 0.81 SCN9A (0.41) RAB9ANPC1MAPTSMN1; SMN2NFKB1
SCHEMBL19625422 0.81 KMO (0.45) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL6550571 0.80 RAB9A (0.59) CNR2HSD11B1RAB9ANPC1MAPT
SCHEMBL31084593 0.80 CCR1 (0.46) RAB9ASMN1; SMN2L3MBTL1KDM4EMEN1
SCHEMBL15290157 0.80 CCR1 (0.46) RAB9ASMN1; SMN2L3MBTL1KDM4EMEN1
SCHEMBL16077971 0.78 CCR1 (0.44) RAB9AMAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL18516763 0.77 CYP3A4 (0.40) RAB9AMAPTALDH1A1HSD17B10HPGD
SCHEMBL19625360 0.76 SCN10A (0.46) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL4381119 0.76 CCR1 (0.42) RAB9ANPC1SMN1; SMN2L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472360-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-11-12 US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
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-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 (3 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 CNR2 4564/4885HSD11B1 1300/4885RAB9A 3036/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 CNR2 97/4885HSD11B1 768/4885RAB9A 3162/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 CNR2 97/4885HSD11B1 768/4885RAB9A 3162/4885

“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.