SCHEMBL4452788

SCHEMBL4452788

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

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 16/20 0.79
VDAC2 P45880 1/20 0.79
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MCHR1 Q99705 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
SCHEMBL1593568 0.92 SLC7A11 (0.88) SLC7A11VDAC2LMNAMAPK1HIF1A
SCHEMBL4463410 0.89 SLC7A11 (0.84) SLC7A11VDAC2LMNAMAPK1HIF1A
Erastin SCHEMBL31385520 0.89 SLC7A11 (1.00) SLC7A11VDAC2LMNAMAPK1HIF1A
Erastin SCHEMBL22213543 0.89 SLC7A11 (1.00) SLC7A11VDAC2LMNAMAPK1HIF1A
Erastin SCHEMBL29370998 0.89 SLC7A11 (1.00) SLC7A11VDAC2LMNAMAPK1HIF1A
Erastin SCHEMBL4457820 0.89 SLC7A11 (1.00) SLC7A11VDAC2LMNAMAPK1HIF1A
SCHEMBL14010407 0.88 SLC7A11 (0.81) SLC7A11VDAC2LMNAMAPK1HIF1A
SCHEMBL4459138 0.87 SLC7A11 (0.80) SLC7A11VDAC2LMNAMAPK1KDM4E
SCHEMBL4519119 0.84 SLC7A11 (0.85) SLC7A11VDAC2LMNAMAPK1HIF1A
SCHEMBL14010414 0.84 SLC7A11 (0.81) SLC7A11VDAC2LMNAMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009108384-A2 COMPOUNDS AND COMPOSITIONS THAT CAUSE NON-APOPTOTIC CELL DEATH AND USES THEREOF TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-09-03 WO disclosed
US-20080299076-A1 Compunds and compositions that cause non-apoptotic cell death and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-04 US 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 (1 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-20080299076-A1 Compunds and compositions that cause non-apoptotic cell death and uses thereof BAD, CASP3, BAX SLC7A11 2266/4885VDAC2 801/4885LMNA 713/4885

“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.