SCHEMBL226167

SCHEMBL226167

O=C(c1cc(F)c(F)c(F)c1)N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.56
PKM P14618 1/20 0.49
TDO2 P48775 1/20 0.48
HRH4 Q9H3N8 3/20 0.48
HPGD P15428 1/20 0.47
SERPINE1 P05121 1/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HSP90AA1 P07900 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
BRD4 O60885 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
KDM4E B2RXH2 1/20 0.41

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
Hydrochloric Acid SCHEMBL224420 0.98 SIGMAR1 (0.54) SIGMAR1PKMTDO2HRH4HPGD
SCHEMBL26701682 0.83 KDM4E (0.58) HPGDSERPINE1CES2CES1MEN1
SCHEMBL27986249 0.83 KMT2A (0.67) SIGMAR1TDO2HRH4HPGDCES2
SCHEMBL28114887 0.81 KMT2A (0.65) SIGMAR1TDO2HRH4HPGDCES2
SCHEMBL24746207 0.79 KMT2A (0.54) SIGMAR1TDO2HRH4HPGDMEN1
SCHEMBL1018987 0.79 SIGMAR1 (0.53) SIGMAR1TDO2HRH4HPGDMEN1
SCHEMBL15953069 0.78 SIGMAR1 (0.65) SIGMAR1PKMHRH4HPGDSERPINE1
Hydrochloric Acid SCHEMBL623790 0.78 HPGD (0.55) SIGMAR1TDO2HRH4HPGDMEN1
SCHEMBL8358137 0.77 SIGMAR1 (0.81) SIGMAR1HPGDRXFP1MKNK1MKNK2
SCHEMBL2336859 0.76 SIGMAR1 (0.68) SIGMAR1TDO2HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111057035-B Baicalein derivative and preparation method and application thereof 中国人民解放军第二军医大学 2021-10-26 CN disclosed
CN-110950828-B Baicalein or derivatives thereof, preparation method and application 中国人民解放军第二军医大学 2021-08-17 CN disclosed
CN-111057035-A Baicalein derivative and preparation method and application thereof 中国人民解放军第二军医大学 2020-04-24 CN disclosed
CN-110950828-A Baicalein or derivatives thereof, preparation method and application 中国人民解放军第二军医大学 2020-04-03 CN disclosed
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-01-05 US disclosed
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-01-05 US disclosed
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-01-05 US disclosed
US-8039463-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-18 US disclosed
US-8039463-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-18 US disclosed
US-8039463-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-18 US disclosed
EP-2307023-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-04-13 EP disclosed
WO-2009117659-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
WO-2009117659-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
US-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
US-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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 (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-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SIGMAR1 3409/4885PKM 2694/4885TDO2 1852/4885
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SIGMAR1 3409/4885PKM 2694/4885TDO2 1852/4885

“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.