SCHEMBL4458674

SCHEMBL4458674

CCOc1ccccc1-n1c(C(C)Br)nc2ccccc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 10/20 0.60
VDAC2 P45880 1/20 0.55
SLC7A11 Q9UPY5 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTR7 P34969 2/20 0.47
HTR1A P08908 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
SCHEMBL12703782 0.87 VDAC2 (0.53) HIF1AVDAC2SLC7A11L3MBTL1MEN1
SCHEMBL13789628 0.86 HIF1A (0.48) HIF1AVDAC2SLC7A11L3MBTL1MEN1
SCHEMBL12703613 0.85 ALDH1A1 (0.50) HIF1AVDAC2SLC7A11MEN1KMT2A
SCHEMBL12610101 0.84 VDAC2 (0.68) HIF1AVDAC2SLC7A11L3MBTL1MAPT
SCHEMBL14303440 0.82 L3MBTL1 (0.64) HIF1AL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL4456692 0.81 HIF1A (0.67) HIF1AVDAC2SLC7A11L3MBTL1ALDH1A1
SCHEMBL13789635 0.81 DPP4 (0.47) HIF1ANPC1RAB9AMAPTALDH1A1
SCHEMBL13633626 0.81 VDAC2 (0.53) HIF1AVDAC2SLC7A11MEN1KMT2A
SCHEMBL14303441 0.81 HIF1A (0.68) HIF1AL3MBTL1MEN1KMT2ANPC1
SCHEMBL4465299 0.81 L3MBTL1 (0.79) HIF1AL3MBTL1ALDH1A1LMNAPKM

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 6 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
WO-2008013840-A2 ERASTIN ANALOGS AND USES THEREOF TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-01-31 WO disclosed
US-20070161644-A1 Erastin analogs and uses thereof STOCKWELL BRENT R 2007-07-12 US disclosed
US-20070161644-A1 Erastin analogs and uses thereof STOCKWELL BRENT R 2007-07-12 US disclosed
US-20070161644-A1 Erastin analogs and uses thereof STOCKWELL BRENT R 2007-07-12 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 (2 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
US-20070161644-A1 Erastin analogs and uses thereof ERAP2, ERAP1, ERAL1 HIF1A 928/4885VDAC2 3980/4885SLC7A11 1250/4885

“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.