SCHEMBL1355706

SCHEMBL1355706

CC(C)(C)OC(=O)N1CCCC1/C=N/OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 1/20 0.42
PRMT5 O14744 1/20 0.41
STS P08842 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
HCRTR2 O43614 1/20 0.40

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
SCHEMBL11928033 1.00 KLK7 (0.49) KLK7MEN1KMT2ATSHRLMNA
SCHEMBL1355709 1.00 KLK7 (0.49) KLK7MEN1KMT2ATSHRLMNA
SCHEMBL12002994 0.85 DPP4 (0.42) MEN1KMT2A
SCHEMBL25650098 0.84 KLK7 (0.46) KLK7MEN1KMT2ATSHRLMNA
SCHEMBL3560856 0.81 TSHR (0.51) TSHRLMNAL3MBTL1NPSR1KDM4E
SCHEMBL11928032 0.81 CTSL (0.49)
SCHEMBL1357138 0.81 CTSL (0.49)
SCHEMBL13823031 0.81 CTSL (0.49)
SCHEMBL14071775 0.81 DPP4 (0.46)
Hydrochloric Acid SCHEMBL3566620 0.80 TSHR (0.50) TSHRLMNAL3MBTL1NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338440-B2 Inhibitors of IAP NOVARTIS AG 2012-12-25 US disclosed
EP-2253614-B1 Inhibitors of IAP NOVARTIS AG (CH) 2012-09-19 EP disclosed
EP-1735307-B1 INHIBITORS OF IAP NOVARTIS AG (CH) 2012-08-29 EP disclosed
US-20120207769-A1 Inhibitors of IAP NOVARTIS AG (CH) 2012-08-16 US disclosed
US-8207183-B2 Inhibitors of IAP NOVARTIS AG (CH) 2012-06-26 US disclosed
US-20110281875-A1 Inhibitors of IAP NOVARTIS AG (CH) 2011-11-17 US disclosed
EP-2253614-A1 Inhibitors of IAP Novartis AG (CH) 2010-11-24 EP disclosed
EP-2065368-A1 Inhibitors of IAP Novartis Ag (CH) 2009-06-03 EP disclosed
US-20080242658-A1 Inhibitors of Iap NOVARTIS AG (CH) 2008-10-02 US disclosed
US-7419975-B2 Organic compounds NOVARTIS AG (CH) 2008-09-02 US disclosed
EP-1735307-A1 INHIBITORS OF IAP Novartis AG (CH) 2006-12-27 EP disclosed
US-20050234042-A1 Organic compounds PALERMO MARK G 2005-10-20 US disclosed
WO-2005097791-A1 INHIBITORS OF IAP NOVARTIS AG (CH) 2005-10-20 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 (4 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-20080242658-A1 Inhibitors of Iap XIAP, BIRC2, BIRC5 KLK7 4151/4885MEN1 2598/4885KMT2A 4593/4885
US-20110281875-A1 Inhibitors of IAP BIRC7, BIRC2, BIRC5 KLK7 3999/4885MEN1 2365/4885KMT2A 4431/4885
US-20050234042-A1 Organic compounds AIFM1, BAX, API5 KLK7 4708/4885MEN1 3135/4885KMT2A 4258/4885
US-20120207769-A1 Inhibitors of IAP BIRC7, BIRC2, BIRC5 KLK7 3999/4885MEN1 2365/4885KMT2A 4431/4885

“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.