SCHEMBL4457976

SCHEMBL4457976

CCOc1ccccc1-n1c(C(C)N2CCNCC2)nc2ccc([N+](=O)[O-])cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.51
VDAC2 P45880 1/20 0.51
SLC7A11 Q9UPY5 1/20 0.51
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 1/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
CACNA2D1 P54289 1/20 0.44
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4456445 0.94 HIF1A (0.51) HIF1AVDAC2SLC7A11KMT2AMEN1
SCHEMBL4456692 0.86 HIF1A (0.67) HIF1AVDAC2SLC7A11ALDH1A1CACNA2D1
SCHEMBL1593382 0.82 VDAC2 (0.51) HIF1AVDAC2SLC7A11KMT2AMEN1
SCHEMBL12610306 0.81 VDAC2 (0.61) HIF1AVDAC2SLC7A11KMT2AMEN1
SCHEMBL13633741 0.79 VDAC2 (0.63) HIF1AVDAC2SLC7A11ALDH1A1PKM
SCHEMBL13789539 0.79 HIF1A (0.55) HIF1AVDAC2SLC7A11GAACACNA2D1
SCHEMBL13633615 0.79 VDAC2 (0.63) HIF1AVDAC2SLC7A11KMT2AMEN1
SCHEMBL12703613 0.78 ALDH1A1 (0.50) HIF1AVDAC2SLC7A11KMT2AMEN1
SCHEMBL13633665 0.78 VDAC2 (0.59) HIF1AVDAC2SLC7A11KMT2AMEN1
SCHEMBL27256134 0.78 VDAC2 (0.65) HIF1AVDAC2SLC7A11ALDH1A1MAPT

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 HIF1A 910/4885VDAC2 801/4885SLC7A11 2266/4885

“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.