SCHEMBL1472953

SCHEMBL1472953

O=C(OOC(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
F2 P00734 1/20 0.68
ALDH1A1 P00352 5/20 0.53
TSHR P16473 4/20 0.53
TDP1 Q9NUW8 4/20 0.53
HSD17B10 Q99714 1/20 0.53
CES1 P23141 2/20 0.52
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
TP53 P04637 1/20 0.42
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
CES2 O00748 1/20 0.39

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
Benzoyl Peroxide SCHEMBL5312311 0.82 LMNA (1.00) LMNAF2ALDH1A1TSHRTDP1
Benzoyl Peroxide SCHEMBL63 0.82 LMNA (1.00) LMNAF2ALDH1A1TSHRTDP1
Benzoyl Peroxide SCHEMBL9407293 0.82 LMNA (1.00) LMNAF2ALDH1A1TSHRTDP1
Benzoyl Peroxide SCHEMBL3467853 0.82 LMNA (1.00) LMNAF2ALDH1A1TSHRTDP1
Benzoyl Peroxide SCHEMBL2929886 0.82 LMNA (1.00) LMNAF2ALDH1A1TSHRTDP1
SCHEMBL271808 0.82 CES1 (0.54) LMNAF2ALDH1A1TSHRTDP1
Benzoyl Peroxide SCHEMBL28236356 0.81 LMNA (0.85) LMNAF2ALDH1A1TSHRTDP1
Benzoyl Peroxide SCHEMBL7546726 0.80 LMNA (0.94) LMNAF2ALDH1A1TSHRTDP1
Benzoyl Peroxide SCHEMBL178097 0.80 LMNA (0.94) LMNAF2ALDH1A1TSHRTDP1
Benzoyl Peroxide SCHEMBL4745654 0.80 LMNA (0.94) LMNAF2ALDH1A1TSHRTDP1

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
EP-1513832-B1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL MYERS SQUIBB CO (US) 2014-03-05 EP disclosed
US-7915283-B2 e.g. 1-[4-(1-Phenyl-1-(pyrazinyl)-methylene)-piperidin-1-yl]-2-(4-methoxy-7-pyrazinyl-6-azaindol-3-yl)-ethane-1,2-dione; viricides for prophylaxis of lympadenopathy associated virus; synergystic mixtures with immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
EP-1513832-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES Bristol-Myers Squibb Company (US) 2005-03-16 EP disclosed
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-09-23 US disclosed
WO-2004043337-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-20040063744-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-04-01 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-20040063744-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT LMNA 4345/4885F2 3999/4885ALDH1A1 435/4885
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES IDO1, IDO2, INMT LMNA 4121/4885F2 4079/4885ALDH1A1 674/4885
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT LMNA 4345/4885F2 3999/4885ALDH1A1 435/4885

“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.