SCHEMBL1222232

SCHEMBL1222232

CCOC(=O)CNC(=O)c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
MAPT P10636 1/20 0.58
NAAA Q02083 1/20 0.54
KDM4E B2RXH2 4/20 0.53
PPID Q08752 1/20 0.52
HPGD P15428 4/20 0.52
HSD17B10 Q99714 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
GAA P10253 2/20 0.50
LMNA P02545 2/20 0.50
RECQL P46063 1/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL11161449 0.83 HPGD (0.57) ALDH1A1SMN1; SMN2MAPTKDM4EPPID
SCHEMBL14310476 0.82 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2MAPTHPGDKMT2A
SCHEMBL4756419 0.82 CA12 (0.60) ALDH1A1SMN1; SMN2MAPTHPGDHSD17B10
SCHEMBL7697059 0.81 CHRNB2 (0.56) ALDH1A1SMN1; SMN2MAPTKDM4EPPID
SCHEMBL14271965 0.80 NAAA (0.68) ALDH1A1MAPTNAAAKDM4EHPGD
Hydrochloric Acid SCHEMBL6927452 0.80 CDC25B (0.55) ALDH1A1SMN1; SMN2MAPTKDM4EPPID
SCHEMBL1221801 0.80 HCRTR1 (0.51) ALDH1A1SMN1; SMN2MAPTKDM4EPPID
SCHEMBL29195077 0.80 NPC1 (0.55) ALDH1A1SMN1; SMN2MAPTHPGDMEN1
SCHEMBL1221369 0.79 RAB9A (0.66) ALDH1A1SMN1; SMN2MAPTKDM4EPPID
SCHEMBL28904240 0.79 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2MAPTNAAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE BISCHOFF ALEXANDER 2011-02-24 US disclosed
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE BISCHOFF ALEXANDER 2011-02-24 US disclosed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US disclosed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US disclosed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO 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 (2 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-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ALDH1A1 969/4885SMN1; SMN2 4076/4885MAPT 3595/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ALDH1A1 969/4885SMN1; SMN2 4076/4885MAPT 3595/4885

“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.