SCHEMBL4162768

SCHEMBL4162768

CN1C(=O)NC2(CC[C@H](c3ccc(C(=N)NO)cc3)C2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
FPR2 P25090 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL2047677 0.81 BRD4 (0.42) FPR2LMNA
SCHEMBL2047876 0.81 BRD4 (0.42) FPR2LMNA
SCHEMBL2052237 0.81 BRD4 (0.42) FPR2LMNA
SCHEMBL4167991 0.81 BRD4 (0.42) FPR2LMNA
SCHEMBL2052239 0.81 BRD4 (0.42) FPR2LMNA
SCHEMBL4162762 0.79 MEN1 (0.43) TDP1LMNAALDH1A1
SCHEMBL4162770 0.79 MEN1 (0.43) TDP1LMNAALDH1A1
SCHEMBL14140427 0.79 CYP19A1 (0.40) ALDH1A1
SCHEMBL14144956 0.79 SIGMAR1 (0.31) FPR2LMNA
SCHEMBL14140687 0.79 SIGMAR1 (0.31) FPR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217027-B2 Sphingosine-1-phosphate receptor agonist and antagonist compounds ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
EP-2120575-A1 SPHINGOSINE-1 -PHOSPHATE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS Abbott Laboratories (US) 2009-11-25 EP disclosed
US-20090029947-A1 Sphingosine-1-phosphate receptor agonist and antagonist compounds ABBVIE INC. 2009-01-29 US disclosed
WO-2008079382-A1 SPHINGOSINE-1 -PHOSPHATE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS ABBOTT LABORATORIES (US) 2008-07-03 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 (1 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-20090029947-A1 Sphingosine-1-phosphate receptor agonist and antagonist compounds S1PR1, S1PR3, S1PR5 TDP1 2767/4885HDAC8 2452/4885HDAC6 2343/4885

“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.