SCHEMBL4457790

SCHEMBL4457790

COc1ccccc1-n1c(C(C)N2CCNCC2)nc2ccccc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 3/20 0.61
HIF1A Q16665 6/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
VDAC2 P45880 1/20 0.51
SLC7A11 Q9UPY5 1/20 0.51
TP53 P04637 2/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL4456692 0.89 HIF1A (0.67) CACNA2D1HIF1AL3MBTL1VDAC2SLC7A11
SCHEMBL4461465 0.86 CACNA2D1 (0.59) CACNA2D1HIF1AVDAC2SLC7A11MEN1
SCHEMBL14447196 0.83 GAA (0.53) CACNA2D1L3MBTL1VDAC2SLC7A11TP53
SCHEMBL14304988 0.83 VDAC2 (0.56) CACNA2D1HIF1AL3MBTL1VDAC2SLC7A11
SCHEMBL13633681 0.80 MEN1 (0.47) L3MBTL1VDAC2SLC7A11TP53LMNA
SCHEMBL13633616 0.80 SLC7A11 (0.77) HIF1AL3MBTL1VDAC2SLC7A11LMNA
SCHEMBL14447195 0.79 KMT2A (0.61) VDAC2SLC7A11TP53MEN1KMT2A
SCHEMBL1553118 0.79 L3MBTL1 (0.61) L3MBTL1TP53LMNAMEN1KMT2A
SCHEMBL12610306 0.78 VDAC2 (0.61) CACNA2D1HIF1AVDAC2SLC7A11MEN1
SCHEMBL13633686 0.78 VDAC2 (0.49) HIF1AL3MBTL1VDAC2SLC7A11TP53

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 CACNA2D1 4679/4885HIF1A 910/4885L3MBTL1 628/4885

“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.