SCHEMBL310217

SCHEMBL310217

O=C(NCc1ccccc1)[C@H]1COCC(=O)N1Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.73
KMT2A Q03164 1/20 0.52
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL1190454 1.00 P2RX7 (0.73) P2RX7KMT2AHDAC1HDAC6ALDH1A1
SCHEMBL3331531 0.88 P2RX7 (0.69) P2RX7
SCHEMBL3332978 0.85 P2RX7 (1.00) P2RX7
SCHEMBL14041408 0.84 P2RX7 (0.78) P2RX7
SCHEMBL1005866 0.84 P2RX7 (0.58) P2RX7KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL311394 0.84 P2RX7 (0.58) P2RX7KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL1190522 0.84 P2RX7 (0.58) P2RX7KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL3336096 0.83 P2RX7 (1.00) P2RX7
SCHEMBL6179978 0.83 P2RX7 (0.57) P2RX7KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL6179972 0.83 P2RX7 (0.57) P2RX7KMT2AALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217226-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2015-07-22 EP disclosed
US-20140323476-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2014-10-30 US disclosed
EP-2785348-A1 PEPTIDE DEFORMYLASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-10-08 EP disclosed
WO-2013082388-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2013-06-06 WO disclosed
US-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2013-02-21 US disclosed
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-7893056-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-02-22 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2009-12-10 US disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 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 (5 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 P2RX7 913/4885KMT2A 800/4885HDAC1 1126/4885
US-20140323476-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, HAMP P2RX7 3732/4885KMT2A 2687/4885HDAC1 2422/4885
US-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DPEP1, DHPS P2RX7 3920/4885KMT2A 1907/4885HDAC1 1250/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 P2RX7 913/4885KMT2A 800/4885HDAC1 1126/4885
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, PADI3 P2RX7 3109/4885KMT2A 2169/4885HDAC1 2187/4885

“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.