SCHEMBL4434717

SCHEMBL4434717

O=c1[nH]c(-c2ccc3c(c2)[nH]c(=O)n3C2CCN(CC(O)c3ccc(Cl)cc3)CC2)no1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YEATS4 O95619 1/20 0.61
MLLT3 P42568 1/20 0.61
MLLT1 Q03111 1/20 0.61
KCNH2 Q12809 1/20 0.61
YEATS2 Q9ULM3 1/20 0.61
PLD1 Q13393 8/20 0.51
PLD2 O14939 7/20 0.51
CTSS P25774 4/20 0.51
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
DRD3 P35462 1/20 0.50
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47

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
SCHEMBL5000724 0.85 YEATS4 (0.64) YEATS4MLLT3MLLT1KCNH2YEATS2
SCHEMBL4438943 0.85 YEATS4 (0.61) YEATS4MLLT3MLLT1KCNH2YEATS2
SCHEMBL4436328 0.84 PLD1 (0.51) YEATS4MLLT3MLLT1KCNH2YEATS2
SCHEMBL5000609 0.78 YEATS4 (0.68) YEATS4MLLT3MLLT1KCNH2YEATS2
SCHEMBL4444405 0.77 YEATS4 (0.84) YEATS4MLLT3MLLT1KCNH2YEATS2
SCHEMBL4438759 0.76 YEATS4 (0.67) YEATS4MLLT3MLLT1KCNH2YEATS2
SCHEMBL4440184 0.76 CTSS (0.44) PLD1PLD2CTSSHTR1AADRA2A
SCHEMBL4446497 0.76 YEATS4 (1.00) YEATS4MLLT3MLLT1KCNH2YEATS2
SCHEMBL4433067 0.75 YEATS4 (0.83) YEATS4MLLT3MLLT1KCNH2YEATS2
SCHEMBL14349463 0.75 DRD2 (0.70) YEATS4MLLT3MLLT1KCNH2YEATS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121656-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE Pfizer Products Inc. (US) 2009-11-25 EP claimed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US claimed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 WO claimed
US-20150148387-A1 METHODS OF TREATMENT, DIAGNOSIS AND MONITORING FOR METHAMPHETAMINE TOXICITY WHICH TARGET CERAMIDE METABOLIC PATHWAYS AND CELLULAR SENESCENCE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-05-28 US disclosed
EP-2121656-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE Pfizer Products Inc. (US) 2009-11-25 EP disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 WO disclosed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 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-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE SPTLC1, SPTLC2, CPT1A YEATS4 1467/4885MLLT3 4292/4885MLLT1 1888/4885
US-20150148387-A1 METHODS OF TREATMENT, DIAGNOSIS AND MONITORING FOR METHAMPHETAMINE TOXICITY WHICH TARGET CERAMIDE METABOLIC PATHWAYS AND CELLULAR SENESCENCE CERS2, CHKB, CES2 YEATS4 3165/4885MLLT3 3669/4885MLLT1 2412/4885

“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.