SCHEMBL526574

SCHEMBL526574

CC(=O)CC(=O)NNc1ccc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.71
KMT2A Q03164 5/20 0.71
MEN1 O00255 4/20 0.71
ALDH1A1 P00352 4/20 0.71
CYP1A2 P05177 3/20 0.71
CYP2C19 P33261 2/20 0.71
HIF1A Q16665 2/20 0.71
GAA P10253 4/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
LMNA P02545 3/20 0.66
HTT P42858 1/20 0.66
GFER P55789 1/20 0.58
MAPT P10636 5/20 0.53
POLB P06746 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.49
HPGD P15428 3/20 0.48
DHODH Q02127 1/20 0.45
CYP3A4 P08684 1/20 0.44

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
SCHEMBL9291930 0.83 MEN1 (1.00) KDM4EKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL7912909 0.83 CYP3A4 (0.60) KDM4EKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL6636563 0.81 SMN1; SMN2 (0.73) KDM4EKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL6633162 0.80 LMNA (0.68) KDM4EKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL11416924 0.79 ALOX5 (0.65) KDM4EALDH1A1CYP2C19GAASMN1; SMN2
SCHEMBL6635433 0.78 LMNA (0.72) KDM4EKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL8208781 0.78 LMNA (0.72) KDM4EKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL3294926 0.76 KDM4E (0.59) KDM4EKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL6638890 0.75 LMNA (0.55) KDM4EKMT2AMEN1ALDH1A1CYP1A2
Betanaphthol SCHEMBL27427382 0.74 CYP1A2 (0.70) KDM4EKMT2AMEN1ALDH1A1CYP1A2

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
US-9035070-B2 Process for the preparation of 1-aryl-pyrazol-3-one intermediates useful in the synthesis of sigma receptors inhibitors Esteve Química, S.A. (ES) 2015-05-19 US disclosed
US-9035070-B2 Process for the preparation of 1-aryl-pyrazol-3-one intermediates useful in the synthesis of sigma receptors inhibitors Esteve Química, S.A. (ES) 2015-05-19 US disclosed
EP-2598469-B1 PROCESS FOR THE PREPARATION OF 1-ARYL-PYRAZOL-3-ONE INTERMEDIATES USEFUL IN THE SYNTHESIS OF SIGMA RECEPTORS INHIBITORS ESTEVE QUÍMICA S A (ES) 2014-07-23 EP disclosed
EP-2598469-B1 PROCESS FOR THE PREPARATION OF 1-ARYL-PYRAZOL-3-ONE INTERMEDIATES USEFUL IN THE SYNTHESIS OF SIGMA RECEPTORS INHIBITORS ESTEVE QUÍMICA S A (ES) 2014-07-23 EP disclosed
US-20130184472-A1 Process for the Preparation of 1-ARYL-PYRAZOL-3-ONE Intermediates Useful in the Synthesis of SIGMA Receptors Inhibitors ESTEVE QUIMICA, S.A. (ES) 2013-07-18 US disclosed
US-20130184472-A1 Process for the Preparation of 1-ARYL-PYRAZOL-3-ONE Intermediates Useful in the Synthesis of SIGMA Receptors Inhibitors ESTEVE QUIMICA, S.A. (ES) 2013-07-18 US disclosed
EP-2598469-A1 PROCESS FOR THE PREPARATION OF 1-ARYL-PYRAZOL-3-ONE INTERMEDIATES USEFUL IN THE SYNTHESIS OF SIGMA RECEPTORS INHIBITORS Esteve Química, S.A. (ES) 2013-06-05 EP disclosed
WO-2012013755-A1 PROCESS FOR THE PREPARATION OF 1-ARYL-PYRAZOL-3-ONE INTERMEDIATES USEFUL IN THE SYNTHESIS OF SIGMA RECEPTORS INHIBITORS Esteve Química, S.A. (ES) 2012-02-02 WO disclosed
WO-2012013755-A1 PROCESS FOR THE PREPARATION OF 1-ARYL-PYRAZOL-3-ONE INTERMEDIATES USEFUL IN THE SYNTHESIS OF SIGMA RECEPTORS INHIBITORS Esteve Química, S.A. (ES) 2012-02-02 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-20130184472-A1 Process for the Preparation of 1-ARYL-PYRAZOL-3-ONE Intermediates Useful in the Synthesis of SIGMA Receptors Inhibitors SIGMAR1, OPRK1, OPRM1 KDM4E 4614/4885KMT2A 4123/4885MEN1 4601/4885

“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.