SCHEMBL4456445

SCHEMBL4456445

CCOc1ccccc1-n1c(C(C)N2CCNCC2)nc2cc([N+](=O)[O-])ccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 10/20 0.51
VDAC2 P45880 1/20 0.51
SLC7A11 Q9UPY5 1/20 0.51
CACNA2D1 P54289 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 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
SCHEMBL4457976 0.94 HIF1A (0.51) HIF1AVDAC2SLC7A11CACNA2D1ALDH1A1
SCHEMBL1593382 0.88 VDAC2 (0.51) HIF1AVDAC2SLC7A11ALDH1A1KMT2A
SCHEMBL12610306 0.87 VDAC2 (0.61) HIF1AVDAC2SLC7A11CACNA2D1KMT2A
SCHEMBL4456692 0.87 HIF1A (0.67) HIF1AVDAC2SLC7A11CACNA2D1ALDH1A1
SCHEMBL12703613 0.84 ALDH1A1 (0.50) HIF1AVDAC2SLC7A11ALDH1A1KMT2A
SCHEMBL4459138 0.82 SLC7A11 (0.80) VDAC2SLC7A11ALDH1A1KMT2AMAPK1
SCHEMBL13633741 0.80 VDAC2 (0.63) HIF1AVDAC2SLC7A11ALDH1A1SMN1; SMN2
SCHEMBL13789539 0.80 HIF1A (0.55) HIF1AVDAC2SLC7A11CACNA2D1GAA
SCHEMBL13633615 0.80 VDAC2 (0.63) HIF1AVDAC2SLC7A11ALDH1A1KMT2A
SCHEMBL13633665 0.79 VDAC2 (0.59) HIF1AVDAC2SLC7A11ALDH1A1KMT2A

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.