SCHEMBL1646246

SCHEMBL1646246

CN(C)C(=O)COC(=O)C=Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 3/20 0.45
PRSS1 P07477 5/20 0.45
F2 P00734 4/20 0.45
KLK1 P06870 4/20 0.45
SLC22A2 O15244 1/20 0.45
TMPRSS2 O15393 1/20 0.45
HPN P05981 1/20 0.45
PRSS2 P07478 1/20 0.45
CTSL P07711 1/20 0.45
CNR1 P21554 1/20 0.45
PRSS3 P35030 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRD1 P41143 1/20 0.45
HGFAC Q04756 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL7308784 0.96 F2 (0.49) POLBKMT2AMEN1KDM4EALDH1A1
SCHEMBL11275527 0.88 SAE1 (0.45) POLBKMT2AMEN1KDM4EALDH1A1
SCHEMBL11275532 0.88 SAE1 (0.45) POLBKMT2AMEN1KDM4EALDH1A1
SCHEMBL11310812 0.84 MAPT (0.46) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL11310808 0.84 MAPT (0.46) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL11275960 0.84 KMT2A (0.59) POLBKMT2AMEN1KDM4EALDH1A1
SCHEMBL11275962 0.84 KMT2A (0.59) POLBKMT2AMEN1KDM4EALDH1A1
SCHEMBL11417969 0.84 MAPT (0.62) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL11417965 0.84 MAPT (0.62) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL11272853 0.83 KMT2A (0.46) KMT2AMEN1KDM4EALDH1A1MAPT

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
US-4021472-A ANTIPLASMIN AND ANTITRYPSIN ONO PHARMACEUTICAL CO., LTD. (JA) 1977-05-03 US claimed
US-20120208882-A1 Organic Compounds DANAHAY HENRY LUKE (GB) 2012-08-16 US disclosed
EP-2305639-A2 Organic compounds Novartis AG (CH) 2011-04-06 EP disclosed
EP-2253612-A1 Organic compounds Novartis AG (CH) 2010-11-24 EP disclosed
US-20090203777-A1 ORGANIC COMPOUNDS MAAS, JANET CATHERINE (GB) 2009-08-13 US disclosed
EP-1874726-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-01-09 EP disclosed
WO-2006108643-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-10-19 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 (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-20120208882-A1 Organic Compounds CFTR, OTC, ASIC1 POLB 2250/4885KMT2A 3928/4885MEN1 4069/4885
US-20090203777-A1 ORGANIC COMPOUNDS CFTR, OTC, ASIC1 POLB 2250/4885KMT2A 3928/4885MEN1 4069/4885

“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.