SCHEMBL2547401

SCHEMBL2547401

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nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.38
PDE4B Q07343 9/20 0.38
PDE4C Q08493 9/20 0.38
PDE4D Q08499 9/20 0.38
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33

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
SCHEMBL9632348 1.00 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL1568503 1.00 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL1568506 1.00 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL16123845 1.00 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DALDH1A1
Hydrochloric Acid SCHEMBL5271499 0.97 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DALDH1A1
Hydrochloric Acid SCHEMBL10577443 0.95 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL9500672 0.88 PARP1 (0.37) PDE4APDE4BPDE4CPDE4DALDH1A1
Phosphoric Acid SCHEMBL5326568 0.88 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DALDH1A1
Cadaverine Tartrate SCHEMBL5329864 0.81 TSHR (0.39) PDE4APDE4BPDE4CPDE4DTSHR
Diphenylamine SCHEMBL3791309 0.79 TDP1 (0.50) ALDH1A1KMT2ALMNATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563790-B1 A PROCESS OF A QUATERNARY AMMONIUM SALT SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2016-09-14 EP disclosed
US-9309255-B2 Process of a quaternary ammonium salt SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-04-12 US disclosed
US-20150087830-A1 PROCESS OF A QUATERNARY AMMONIUM SALT SUMITOMO DAINIPPON PHARMA CO., LTD 2015-03-26 US disclosed
US-8921551-B2 Process of a quaternary ammonium salt SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-12-30 US disclosed
EP-2563791-B1 A PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2014-12-24 EP disclosed
US-20140256939-A1 PROCESS OF PREPARING A QUATERNARY AMMONIUM SALT USING PHOSPHATE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-09-11 US disclosed
US-20140031548-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-01-30 US disclosed
US-8586737-B2 Process of a quaternary ammonium salt using phosphate DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-11-19 US disclosed
EP-2563790-A1 A PROCESS OF A QUATERNARY AMMONIUM SALT Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-03-06 EP disclosed
WO-2011136383-A1 A PROCESS OF A QUATERNARY AMMONIUM SALT DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-11-03 WO disclosed
US-20110263847-A1 PROCESS OF A QUATERNARY AMMONIUM SALT DAINIPPON SUMITOMO PHARMA CO, LTD. (JP) 2011-10-27 US disclosed
US-20110263848-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-10-27 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 (5 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-20150087830-A1 PROCESS OF A QUATERNARY AMMONIUM SALT KAT5, ATP1B2, QARS1 PDE4A 2743/4885PDE4B 2418/4885PDE4C 2792/4885
US-20140031548-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 PDE4A 1119/4885PDE4B 1090/4885PDE4C 1118/4885
US-20110263847-A1 PROCESS OF A QUATERNARY AMMONIUM SALT KAT5, ATP1B2, QARS1 PDE4A 2743/4885PDE4B 2418/4885PDE4C 2792/4885
US-20110263848-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 PDE4A 1119/4885PDE4B 1090/4885PDE4C 1118/4885
US-20140256939-A1 PROCESS OF PREPARING A QUATERNARY AMMONIUM SALT USING PHOSPHATE AGPS, SLC34A3, SLC34A1 PDE4A 871/4885PDE4B 757/4885PDE4C 864/4885

“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.