SCHEMBL9823

SCHEMBL9823

N=C(N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)n1cccn1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PDE4B Q07343 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL15500843 0.82 L3MBTL1 (0.48) ALDH1A1POLBKMT2ATDP1MAPK1
SCHEMBL1728937 0.76 POLB (0.50) POLBLMNA
SCHEMBL6252907 0.75 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL27606338 0.73 PDE4B (0.40) ALDH1A1KMT2APDE4BLMNA
SCHEMBL3184892 0.73 SIGMAR1 (0.48) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL8419163 0.72 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL10666425 0.72 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL2321110 0.72 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL12302147 0.71 ALDH1A1 (0.46) ALDH1A1POLBKMT2ATDP1MAPK1
SCHEMBL12287978 0.71 NOS1 (0.45) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11788080-B2 Modified cleavases, uses thereof and related kits Encodia, Inc. (US) 2023-10-17 US claimed
EP-3430000-B1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC (US) 2022-12-28 EP disclosed
EP-3137447-B1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX INC (US) 2021-06-30 EP disclosed
US-10822311-B2 Pyrimidines and variants thereof, and uses therefor Afferent Pharmaceuticals, Inc. (US) 2020-11-03 US disclosed
US-10717704-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2020-07-21 US disclosed
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF INSPIRNA, INC. 2019-10-17 US disclosed
EP-3430000-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR Afferent Pharmaceuticals Inc. (US) 2019-01-23 EP disclosed
WO-2017160569-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC. (US) 2017-09-21 WO disclosed
EP-2488502-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Rib-X Pharmaceuticals, Inc. (US) 2012-08-22 EP disclosed
WO-2011044503-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-02-09 WO disclosed
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed
WO-2011044503-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed
US-20080207655-A1 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC 2008-08-28 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 (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-10717704-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 ALDH1A1 2023/4885POLB 1948/4885KMT2A 1868/4885
US-10822311-B2 Pyrimidines and variants thereof, and uses therefor P2RX3, P2RX5, P2RX4 ALDH1A1 1586/4885POLB 1896/4885KMT2A 3955/4885
US-20080207655-A1 Diaminopyrimidines as P2X3 and P2X2/3 modulators P2RX3, P2RX2, P2RX6 ALDH1A1 767/4885POLB 2764/4885KMT2A 3592/4885
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 ALDH1A1 2023/4885POLB 1948/4885KMT2A 1868/4885

“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.