SCHEMBL10329430

SCHEMBL10329430

CCCCC(=O)Oc1ccc(NC(C)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.62
KMT2A Q03164 7/20 0.62
MEN1 O00255 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.57
HSD17B10 Q99714 2/20 0.57
LMNA P02545 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
CYP1A2 P05177 1/20 0.57
HPGD P15428 1/20 0.56
RECQL P46063 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
ESR2 Q92731 1/20 0.50
HTT P42858 1/20 0.50
FAAH O00519 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
SCHEMBL20660719 0.94 OPRK1 (0.59) OPRK1KMT2AMEN1SMN1; SMN2HSD17B10
SCHEMBL28398818 0.94 OPRK1 (0.59) OPRK1KMT2AMEN1SMN1; SMN2HSD17B10
SCHEMBL29122639 0.94 OPRK1 (0.59) OPRK1KMT2AMEN1SMN1; SMN2HSD17B10
SCHEMBL20660561 0.94 OPRK1 (0.59) OPRK1KMT2AMEN1SMN1; SMN2HSD17B10
SCHEMBL10620286 0.94 OPRK1 (0.59) OPRK1KMT2AMEN1SMN1; SMN2HSD17B10
SCHEMBL20660653 0.94 OPRK1 (0.59) OPRK1KMT2AMEN1SMN1; SMN2HSD17B10
SCHEMBL27476119 0.90 OPRK1 (0.66) OPRK1KMT2AMEN1SMN1; SMN2HSD17B10
SCHEMBL4121702 0.88 OPRK1 (0.62) OPRK1KMT2AMEN1SMN1; SMN2HSD17B10
SCHEMBL31570078 0.87 POLB (0.58) OPRK1KMT2AMEN1HSD17B10LMNA
SCHEMBL11284305 0.86 OPRK1 (0.61) OPRK1KMT2AMEN1SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222296-B2 Conjugates comprising a GABA- or glycine compound, pharmaceutical compositions and combinations thereof and their use in treating CNS disorders RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2012-07-17 US disclosed
US-7723529-B2 Process for preparing nitrooxy esters, nitrooxy thioesters nitrooxy carbonates and nitrooxy thiocarbinates, intermediates useful in said process and preparation thereof NICOX S.A. (FR) 2010-05-25 US disclosed
US-20070238882-A1 Process for Preparing Nitrooxy Esters, Nitrooxy Thioesters Nitrooxy Carbonates and Nitrooxy Thiocarbinates, Intermediates Useful in Said Process and Preparation Thereof NICOX S.A. (FR) 2007-10-11 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 (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-20070238882-A1 Process for Preparing Nitrooxy Esters, Nitrooxy Thioesters Nitrooxy Carbonates and Nitrooxy Thiocarbinates, Intermediates Useful in Said Process and Preparation Thereof OTUB1, TET1, TET3 OPRK1 3213/4885KMT2A 2729/4885MEN1 3860/4885

“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.