SCHEMBL1461671

SCHEMBL1461671

COc1ccc(CC(=O)Cl)c(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
AOC3 Q16853 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
PDE4D Q08499 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
SLC6A4 P31645 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL6904741 0.86 AOC3 (0.50) KDM4EMEN1KMT2AAOC3SMN1; SMN2
SCHEMBL7151000 0.85 KDM4E (0.51) KDM4EMEN1KMT2AAOC3SMN1; SMN2
SCHEMBL10680843 0.85 KDM4E (0.40) KDM4EMEN1KMT2AAOC3SMN1; SMN2
SCHEMBL10620598 0.85 MEP1B (0.40) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2532788 0.84 KMT2A (0.49) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL30969123 0.84 HSD17B10 (0.57) KDM4EMEN1KMT2AAOC3SMN1; SMN2
SCHEMBL10823796 0.84 CYP3A4 (0.55) KDM4EMEN1KMT2AAOC3SMN1; SMN2
SCHEMBL151820 0.84 HSD17B10 (0.57) KDM4EMEN1KMT2AAOC3SMN1; SMN2
SCHEMBL5742066 0.83 AOC3 (0.51) KDM4EMEN1KMT2AAOC3SMN1; SMN2
SCHEMBL7123571 0.82 KDM4E (0.52) KDM4EMEN1KMT2AAOC3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045836-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVES AS HSP90 MODULATORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-02-13 US disclosed
US-8580783-B2 [1,2,4]triazolo [1,5-c]pyrimidine derivatives as Hsp90 modulators NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-11-12 US disclosed
US-20120184546-A1 [1,2,4]TRIAZOLO [1,5-C]PYRIMIDINE DERIVATIVES AS HSP90 MODULATORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2012-07-19 US disclosed
EP-2475665-A1 [1,2,4]TRIAZOLO [1,5-c]PYRIMIDINE DERIVATIVES AS Hsup90 MODULATORS Nerviano Medical Sciences S.r.l. (IT) 2012-07-18 EP disclosed
WO-2011029775-A1 [1,2,4]TRIAZOLO [1,5-c]PYRIMIDINE DERIVATIVES AS Hsup90 MODULATORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-03-17 WO disclosed
EP-0306440-A2 1-(4-substituted phenyl)-1H-imidazoles as cardiovascular agents SCHERING AKTIENGESELLSCHAFT (DE) 1989-03-08 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 (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-20140045836-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVES AS HSP90 MODULATORS HSP90AB1, HSP90AA1, HSP90AB2P KDM4E 3637/4885MEN1 4673/4885KMT2A 4468/4885
US-20120184546-A1 [1,2,4]TRIAZOLO [1,5-C]PYRIMIDINE DERIVATIVES AS HSP90 MODULATORS HSP90AB1, HSP90AA1, HSP90AB2P KDM4E 3699/4885MEN1 4630/4885KMT2A 4484/4885

“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.