SCHEMBL4462685

SCHEMBL4462685

CCOc1ccccc1-n1c(C(C)N2CCN(C(C)=O)CC2)nc2ccccc2c1=O

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VDAC2 P45880 1/20 0.73
SLC7A11 Q9UPY5 1/20 0.73
HIF1A Q16665 10/20 0.68
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HTR7 P34969 5/20 0.51
HSP90AA1 P07900 2/20 0.48
HSP90AB1 P08238 2/20 0.48
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46

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
SCHEMBL13633582 0.92 VDAC2 (0.72) VDAC2SLC7A11HIF1AALDH1A1LMNA
SCHEMBL13633630 0.92 VDAC2 (0.78) VDAC2SLC7A11HIF1AALDH1A1LMNA
SCHEMBL13633732 0.90 VDAC2 (0.75) VDAC2SLC7A11HIF1AALDH1A1LMNA
SCHEMBL13633714 0.90 VDAC2 (0.73) VDAC2SLC7A11HIF1AALDH1A1LMNA
SCHEMBL13633743 0.89 VDAC2 (0.69) VDAC2SLC7A11HIF1AALDH1A1LMNA
SCHEMBL13633719 0.89 VDAC2 (0.69) VDAC2SLC7A11HIF1AALDH1A1LMNA
SCHEMBL13633613 0.89 VDAC2 (0.73) VDAC2SLC7A11HIF1AALDH1A1LMNA
SCHEMBL13633718 0.89 SLC7A11 (0.89) VDAC2SLC7A11HIF1AALDH1A1LMNA
SCHEMBL12610101 0.89 VDAC2 (0.68) VDAC2SLC7A11HIF1AALDH1A1LMNA
SCHEMBL13633722 0.88 VDAC2 (0.68) VDAC2SLC7A11HIF1AALDH1A1LMNA

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-8535897-B2 Assays for non-apoptotic cell death and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-09-17 US disclosed
US-20110008803-A1 ASSAYS FOR NON-APOPTOTIC CELL DEATH AND USES THEREOF TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-01-13 US disclosed
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
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
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
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 VDAC2 801/4885SLC7A11 2266/4885HIF1A 910/4885

“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.