SCHEMBL4456692

SCHEMBL4456692

CCOc1ccccc1-n1c(C(C)N2CCNCC2)nc2ccccc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 11/20 0.67
VDAC2 P45880 1/20 0.64
SLC7A11 Q9UPY5 1/20 0.64
CACNA2D1 P54289 3/20 0.58
HTR7 P34969 2/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL12610101 0.89 VDAC2 (0.68) HIF1AVDAC2SLC7A11CACNA2D1HTR7
SCHEMBL12610306 0.89 VDAC2 (0.61) HIF1AVDAC2SLC7A11CACNA2D1HTR7
SCHEMBL4457790 0.89 CACNA2D1 (0.61) HIF1AVDAC2SLC7A11CACNA2D1ALDH1A1
SCHEMBL13789539 0.89 HIF1A (0.55) HIF1AVDAC2SLC7A11CACNA2D1LMNA
SCHEMBL4456445 0.87 HIF1A (0.51) HIF1AVDAC2SLC7A11CACNA2D1ALDH1A1
SCHEMBL4457976 0.86 HIF1A (0.51) HIF1AVDAC2SLC7A11CACNA2D1ALDH1A1
SCHEMBL4462685 0.86 VDAC2 (0.73) HIF1AVDAC2SLC7A11HTR7ALDH1A1
SCHEMBL13633582 0.85 VDAC2 (0.72) HIF1AVDAC2SLC7A11HTR7ALDH1A1
SCHEMBL13633630 0.85 VDAC2 (0.78) HIF1AVDAC2SLC7A11HTR7ALDH1A1
SCHEMBL12610180 0.85 VDAC2 (0.68) HIF1AVDAC2SLC7A11HTR7ALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM WAVEBREAK INC (US) 2024-06-27 US disclosed
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM WAVEBREAK INC (US) 2024-06-27 US disclosed
WO-2022212568-A9 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM 1BASE PHARMACEUTICALS, LLC (US) 2023-11-16 WO disclosed
WO-2022212568-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM 1BASE PHARMACEUTICALS, LLC (US) 2022-10-06 WO disclosed
US-20160271133-A1 Methods of Treating Multiple Myeloma and Resistant Cancers PROLEXYS PHARMACEUTICALS INC (US) 2016-09-22 US disclosed
US-20160271133-A1 Methods of Treating Multiple Myeloma and Resistant Cancers PROLEXYS PHARMACEUTICALS INC (US) 2016-09-22 US disclosed
US-20160015710-A1 Methods of Treating Multiple Myeloma and Resistant Cancers PROLEXYS PHARMACEUTICALS INC (US) 2016-01-21 US disclosed
US-20160015710-A1 Methods of Treating Multiple Myeloma and Resistant Cancers PROLEXYS PHARMACEUTICALS INC (US) 2016-01-21 US disclosed
US-20140227221-A1 METHODS OF TREATING MULTIPLE MYELOMA AND RESISTANT CANCERS PROLEXYS PHARMACEUTICALS, INC. (US) 2014-08-14 US disclosed
US-20140227221-A1 METHODS OF TREATING MULTIPLE MYELOMA AND RESISTANT CANCERS PROLEXYS PHARMACEUTICALS, INC. (US) 2014-08-14 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
US-20090214465-A1 Quinoxaline Derivatives as Antitumor Agents PROLEXYS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20090214465-A1 Quinoxaline Derivatives as Antitumor Agents PROLEXYS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
WO-2009002553-A1 METHODS OF TREATING MULTIPLE MYELOMA AND RESISTANT CANCERS PROLEXYS PHARMACEUTICALS, INC. (US) 2008-12-31 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
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 (7 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-20160271133-A1 Methods of Treating Multiple Myeloma and Resistant Cancers MCL1, SLC11A2, MEN1 HIF1A 214/4885VDAC2 3099/4885SLC7A11 453/4885
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
US-20140227221-A1 METHODS OF TREATING MULTIPLE MYELOMA AND RESISTANT CANCERS MCL1, BCL3, DDIT3 HIF1A 275/4885VDAC2 4580/4885SLC7A11 1278/4885
US-20160015710-A1 Methods of Treating Multiple Myeloma and Resistant Cancers MCL1, SLC11A2, MEN1 HIF1A 214/4885VDAC2 3099/4885SLC7A11 453/4885
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM CPT2, PC, SREBF2 HIF1A 726/4885VDAC2 553/4885SLC7A11 906/4885
US-20090214465-A1 Quinoxaline Derivatives as Antitumor Agents VDAC3, VDAC2, VDAC1 HIF1A 2396/4885VDAC2 2/4885SLC7A11 565/4885

“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.