SCHEMBL1593568

SCHEMBL1593568

CCOc1ccccc1-n1c(C(C)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2cc(Cl)ccc2c1=O

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 16/20 0.88
VDAC2 P45880 1/20 0.88
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HIF1A Q16665 1/20 0.44

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
SCHEMBL4463410 0.94 SLC7A11 (0.84) SLC7A11VDAC2LMNAMAPK1KDM4E
Erastin SCHEMBL4457820 0.94 SLC7A11 (1.00) SLC7A11VDAC2LMNAMAPK1HIF1A
Erastin SCHEMBL22213543 0.94 SLC7A11 (1.00) SLC7A11VDAC2LMNAMAPK1HIF1A
Erastin SCHEMBL29370998 0.94 SLC7A11 (1.00) SLC7A11VDAC2LMNAMAPK1HIF1A
Erastin SCHEMBL31385520 0.94 SLC7A11 (1.00) SLC7A11VDAC2LMNAMAPK1HIF1A
SCHEMBL14010407 0.93 SLC7A11 (0.81) SLC7A11VDAC2LMNAMAPK1KDM4E
SCHEMBL4459138 0.92 SLC7A11 (0.80) SLC7A11VDAC2LMNAMAPK1KDM4E
SCHEMBL4452788 0.92 SLC7A11 (0.79) SLC7A11VDAC2LMNAMAPK1KDM4E
SCHEMBL4519119 0.89 SLC7A11 (0.85) SLC7A11VDAC2LMNAMAPK1HIF1A
SCHEMBL14010414 0.89 SLC7A11 (0.81) SLC7A11VDAC2LMNAMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160271133-A1 Methods of Treating Multiple Myeloma and Resistant Cancers PROLEXYS PHARMACEUTICALS INC (US) 2016-09-22 US disclosed
US-20160271133-A1 Methods of Treating Multiple Myeloma and Resistant Cancers PROLEXYS PHARMACEUTICALS INC (US) 2016-09-22 US disclosed
US-20160015710-A1 Methods of Treating Multiple Myeloma and Resistant Cancers PROLEXYS PHARMACEUTICALS INC (US) 2016-01-21 US disclosed
US-20160015710-A1 Methods of Treating Multiple Myeloma and Resistant Cancers PROLEXYS PHARMACEUTICALS INC (US) 2016-01-21 US disclosed
US-20140227221-A1 METHODS OF TREATING MULTIPLE MYELOMA AND RESISTANT CANCERS PROLEXYS PHARMACEUTICALS, INC. (US) 2014-08-14 US disclosed
US-20140227221-A1 METHODS OF TREATING MULTIPLE MYELOMA AND RESISTANT CANCERS PROLEXYS PHARMACEUTICALS, INC. (US) 2014-08-14 US disclosed
US-8575143-B2 3-aryl-substituted quinazolones, and uses thereof PROLEXYS PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-8575143-B2 3-aryl-substituted quinazolones, and uses thereof PROLEXYS PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-8575143-B2 3-aryl-substituted quinazolones, and uses thereof PROLEXYS PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-20110123486-A1 METHODS OF TREATING MULTIPLE MYELOMA AND RESISTANT CANCERS PROLEXYS PHARMACEUTICALS, INC. (US) 2011-05-26 US disclosed
US-20110123486-A1 METHODS OF TREATING MULTIPLE MYELOMA AND RESISTANT CANCERS PROLEXYS PHARMACEUTICALS, INC. (US) 2011-05-26 US disclosed
US-20110092489-A1 3-Aryl-Substituted Quinazolones, and Uses Thereof Prolexys Pharmaceuticals ,Inc. (US) 2011-04-21 US disclosed
US-20110092489-A1 3-Aryl-Substituted Quinazolones, and Uses Thereof Prolexys Pharmaceuticals ,Inc. (US) 2011-04-21 US disclosed
US-20110092489-A1 3-Aryl-Substituted Quinazolones, and Uses Thereof Prolexys Pharmaceuticals ,Inc. (US) 2011-04-21 US disclosed
WO-2009002553-A1 METHODS OF TREATING MULTIPLE MYELOMA AND RESISTANT CANCERS PROLEXYS PHARMACEUTICALS, INC. (US) 2008-12-31 WO disclosed
WO-2007076087-A2 3-ARYL-SUBSTITUTED QUINAZOLONES, AND USES THEREOF PROLEXYS PHARMACEUTICALS, INC. (US) 2007-07-05 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 (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-20160271133-A1 Methods of Treating Multiple Myeloma and Resistant Cancers MCL1, SLC11A2, MEN1 SLC7A11 453/4885VDAC2 3099/4885LMNA 1737/4885
US-20110092489-A1 3-Aryl-Substituted Quinazolones, and Uses Thereof MKI67, MCL1, HCCS SLC7A11 3069/4885VDAC2 3317/4885LMNA 1964/4885
US-20140227221-A1 METHODS OF TREATING MULTIPLE MYELOMA AND RESISTANT CANCERS MCL1, BCL3, DDIT3 SLC7A11 1278/4885VDAC2 4580/4885LMNA 1726/4885
US-20160015710-A1 Methods of Treating Multiple Myeloma and Resistant Cancers MCL1, SLC11A2, MEN1 SLC7A11 453/4885VDAC2 3099/4885LMNA 1737/4885
US-20110123486-A1 METHODS OF TREATING MULTIPLE MYELOMA AND RESISTANT CANCERS MCL1, BCL3, DDIT3 SLC7A11 1278/4885VDAC2 4580/4885LMNA 1726/4885

“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.