SCHEMBL10146124

SCHEMBL10146124

Cn1nc(C(C)(C)C)cc1-c1nnc(C(C)(C)C)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
MAPK14 Q16539 3/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
P2RY1 P47900 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL13618547 0.89 KDM4E (0.41) KDM4EGRNSORT1MAPK14RAB9A
SCHEMBL352561 0.77 KDM4E (0.37) KDM4EGRNSORT1RAB9ANPC1
SCHEMBL10146122 0.68 ALDH1A1 (0.34) ALDH1A1MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL20866275 0.67 MAPK14 (0.48) KDM4EGRNSORT1MAPK14RAB9A
SCHEMBL24469798 0.67 KDM4E (0.44) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL21719732 0.66 KDM4E (0.50) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL22952827 0.66 KDM4E (0.39) KDM4EGRNSORT1MAPK14RAB9A
SCHEMBL10146105 0.66 CYP1A2 (0.44) KDM4EGRNSORT1HDAC6CYP1A2
SCHEMBL10147819 0.66 KDM4E (0.42) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL10146074 0.66 KDM4E (0.42) KDM4EGRNSORT1MAPK14MAPT

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-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 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-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor CNR2, CNR1, TRPV1 KDM4E 2157/4885GRN 4810/4885SORT1 2723/4885

“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.