SCHEMBL4200714

SCHEMBL4200714

C[Si](C)(C)CCOCn1ccnc1CC(CNC(=O)c1ccc(C=O)cc1)Cc1nccn1COCC[Si](C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 11/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL4202743 0.84 MEN1 (0.37) KMT2AMEN1ALDH1A1MAPT
SCHEMBL4206971 0.83 MEN1 (0.39) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL4216368 0.81 MEN1 (0.47) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL1793865 0.79 KMT2A (0.37) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL4213525 0.77 LMNA (0.31)
SCHEMBL4196846 0.76 KLKB1 (0.35) KMT2AMEN1RAB9A
SCHEMBL4202615 0.76 CXCR4 (0.41) KMT2AALDH1A1MAPT
SCHEMBL4211882 0.76 HRH3 (0.41) KMT2AMEN1ALDH1A1HPGDNPSR1
SCHEMBL4213681 0.75 NR1H4 (0.41) KMT2AMEN1NR1H4
SCHEMBL4203399 0.74 DGAT1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871210-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-10-28 US disclosed
US-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-13 US disclosed
US-8614323-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-24 US disclosed
EP-2657235-A1 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-30 EP disclosed
EP-1942108-B1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-09-04 EP disclosed
US-20120328627-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-12-27 US disclosed
US-8318931-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-11-27 US disclosed
US-8293896-B2 2012-10-23 US disclosed
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-05-07 US disclosed
EP-1942108-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-09 EP 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 (3 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-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR1, CXCR3 CYP24A1 1301/4885KMT2A 3667/4885MEN1 3160/4885
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CXCR1, CXCR3 CYP24A1 1089/4885KMT2A 3385/4885MEN1 2513/4885
US-20120328627-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR1, CXCR3 CYP24A1 1301/4885KMT2A 3667/4885MEN1 3160/4885

“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.