SCHEMBL2294527

SCHEMBL2294527

O=C(Oc1ccccc1)N1CCO[C@H](c2ccc(OS(=O)(=O)c3ccccc3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.42
NPY2R P49146 2/20 0.40
GAA P10253 1/20 0.40
ENPP3 O14638 4/20 0.40
ENPP1 P22413 4/20 0.40
ENPP2 Q13822 3/20 0.40
USP30 Q70CQ3 2/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CNR2 P34972 1/20 0.39
PDE4B Q07343 1/20 0.39
EPHX1 P07099 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL2298229 1.00 KMT2A (0.45) KMT2ACASP3SENP7NPC1RAB9A
SCHEMBL2291605 0.93 CYP2C9 (0.46) KMT2ACASP3SENP7NPC1RAB9A
SCHEMBL2298443 0.93 CYP2C9 (0.46) KMT2ACASP3SENP7NPC1RAB9A
SCHEMBL2296205 0.91 FAAH (0.49) KMT2AMEN1
SCHEMBL2294205 0.91 FAAH (0.49) KMT2AMEN1
SCHEMBL2297829 0.89 ENPP3 (0.42) KMT2ASMN1; SMN2MEN1ENPP3ENPP1
SCHEMBL2298271 0.89 ENPP3 (0.42) KMT2ASMN1; SMN2MEN1ENPP3ENPP1
SCHEMBL3374999 0.89 ENPP3 (0.42) KMT2ANPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3371675 0.89 ENPP3 (0.42) KMT2ANPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2297540 0.88 KMT2A (0.46) KMT2ACASP3SENP7NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN claimed
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
CN-102120741-A Production method of an optically active compound MITSUBISHI TANABE PHARMA CORP 2011-07-13 CN disclosed
CN-102050820-A Preparation method of compound with optical activity MITSUBISHI TANABE PHARMA CORP 2011-05-11 CN disclosed
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN 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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KMT2A 1798/4885CASP3 3756/4885SENP7 2383/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KMT2A 1798/4885CASP3 3756/4885SENP7 2383/4885

“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.