SCHEMBL12169727

SCHEMBL12169727

CC(=O)N(C(C)=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
HDAC1 Q13547 1/20 0.45
TYR P14679 1/20 0.44
SRD5A2 P31213 1/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NR1H4 Q96RI1 1/20 0.41
MEN1 O00255 3/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
HTT P42858 2/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
HIF1A Q16665 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL13564545 0.85 LMNA (0.40) LMNAHDAC1TYRSRD5A2ALDH1A1
SCHEMBL803612 0.83 GAA (0.48) ALDH1A1TSHRHSD17B10SMN1; SMN2RAB9A
SCHEMBL4402773 0.81 SMN1; SMN2 (0.62) LMNAHDAC1TYRSRD5A2ALDH1A1
SCHEMBL11504901 0.77 MAPK10 (0.45) HDAC1ALDH1A1HSD17B10SMN1; SMN2RAB9A
SCHEMBL2004924 0.77 GAA (0.43) LMNAALDH1A1TSHRHSD17B10CYP1A2
SCHEMBL10292556 0.75 ALDH1A1 (0.45) LMNATYRALDH1A1TSHRHSD17B10
SCHEMBL133847 0.75 ALDH1A1 (0.48) LMNAALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL13336146 0.74 LMNA (0.46) LMNAHDAC1TYRSRD5A2ALDH1A1
SCHEMBL13757716 0.74 MLYCD (0.48) LMNASRD5A2ALDH1A1TSHRSMN1; SMN2
SCHEMBL7822792 0.73 GAA (0.40) LMNAALDH1A1TSHRHSD17B10SMN1; SMN2

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-9265767-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2016-02-23 US disclosed
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2015-10-01 US disclosed
US-8933074-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-01-13 US disclosed
US-20140011808-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2014-01-09 US disclosed
US-8466148-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2013-06-18 US disclosed
US-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. 2012-09-13 US disclosed
US-8071595-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 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 (4 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-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A LMNA 3565/4885HDAC1 180/4885TYR 1880/4885
US-20140011808-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS PDE12, PDE7A, PDE10A LMNA 3565/4885HDAC1 180/4885TYR 1880/4885
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS PDE12, PDE7A, PDE10A LMNA 3565/4885HDAC1 180/4885TYR 1880/4885
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A LMNA 3565/4885HDAC1 180/4885TYR 1880/4885

“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.