SCHEMBL15077977

SCHEMBL15077977

OCCN(CCO)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 1.00
ALDH1A1 P00352 9/20 1.00
LMNA P02545 4/20 1.00
NPSR1 Q6W5P4 2/20 1.00
HIF1A Q16665 1/20 1.00
KMT2A Q03164 5/20 0.80
HPGD P15428 5/20 0.76
PDE4A P27815 2/20 0.70
PDE4B Q07343 2/20 0.70
PDE4D Q08499 2/20 0.70
EEF2K O00418 1/20 0.66
POLB P06746 2/20 0.66
TSHR P16473 2/20 0.66
HSD17B10 Q99714 2/20 0.66
HTT P42858 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
ABL1 P00519 1/20 0.66
MAPT P10636 1/20 0.66
RIN1 Q13671 1/20 0.66
RAD52 P43351 1/20 0.61

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
SCHEMBL5012465 0.83 PDE4B (0.91) KDM4EALDH1A1LMNANPSR1HIF1A
SCHEMBL4047460 0.83 PDE4B (1.00) KDM4EALDH1A1LMNANPSR1HIF1A
SCHEMBL4048347 0.82 PDE4B (0.88) KDM4EALDH1A1LMNANPSR1HIF1A
SCHEMBL4045528 0.82 PDE4B (0.94) KDM4EALDH1A1LMNANPSR1HIF1A
SCHEMBL4046997 0.81 PDE4B (0.83) KDM4EALDH1A1LMNANPSR1HIF1A
SCHEMBL19805199 0.80 EEF2K (0.77) KDM4EALDH1A1LMNANPSR1HIF1A
SCHEMBL5013091 0.80 PDE4B (1.00) KDM4EALDH1A1LMNANPSR1HIF1A
SCHEMBL19805198 0.77 KMT2A (0.96) KDM4EALDH1A1LMNANPSR1HIF1A
SCHEMBL4046180 0.77 PDE4B (0.73) KDM4EALDH1A1LMNANPSR1HIF1A
SCHEMBL5245912 0.76 PDE4B (0.79) KDM4EALDH1A1LMNANPSR1HIF1A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200270263-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-08-27 US disclosed
US-10689392-B2 Anti-cancer compounds targeting ral GTPases and methods of using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-06-23 US disclosed
US-20160280715-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2016-09-29 US disclosed
US-20160280715-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2016-09-29 US disclosed
US-9353121-B2 Anti-cancer compounds targeting Ral GTPases and methods of using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-05-31 US disclosed
US-9353121-B2 Anti-cancer compounds targeting Ral GTPases and methods of using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-05-31 US disclosed
US-20140315894-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2014-10-23 US disclosed
US-20140315894-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2014-10-23 US disclosed
WO-2013096820-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2013-06-27 WO 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 (4 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-20140315894-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME ARFGAP1, ARHGDIB, IQGAP1 KDM4E 1255/4885ALDH1A1 3045/4885LMNA 4082/4885
US-20160280715-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME ARFGAP1, ARHGDIB, IQGAP1 KDM4E 1255/4885ALDH1A1 3045/4885LMNA 4082/4885
US-10689392-B2 Anti-cancer compounds targeting ral GTPases and methods of using the same ARFGAP1, ARHGDIB, IQGAP1 KDM4E 1255/4885ALDH1A1 3045/4885LMNA 4082/4885
US-20200270263-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME ARFGAP1, ARHGDIB, IQGAP1 KDM4E 1255/4885ALDH1A1 3045/4885LMNA 4082/4885

“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.