SCHEMBL790313

SCHEMBL790313

S=P(Cl)(Cl)Oc1cccc2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.39
FABP5 Q01469 1/20 0.38
CACNA2D1 P54289 6/20 0.38
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NR3C1 P04150 1/20 0.37
CYP3A4 P08684 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL720268 0.83 KDM4E (0.44) MAPTKDM4EPOLBFABP5CACNA2D1
SCHEMBL30967692 0.83 KDM4E (0.44) MAPTKDM4EPOLBFABP5CACNA2D1
SCHEMBL28178369 0.74 MAPT (0.54) MAPTKDM4EPOLBFABP5CACNA2D1
SCHEMBL29096082 0.74 SYK (0.57) MAPTKDM4EFABP5LMNAALDH1A1
SCHEMBL96953 0.74 SYK (0.57) MAPTKDM4EFABP5LMNAALDH1A1
SCHEMBL722425 0.74 KDM4E (0.41) MAPTKDM4EPOLBFABP5CACNA2D1
SCHEMBL27958848 0.74 KDM4E (0.48) MAPTKDM4EPOLBCACNA2D1LMNA
SCHEMBL23999664 0.73 MAPT (0.52) MAPTKDM4EPOLBFABP5CACNA2D1
SCHEMBL789932 0.73 ALDH1A1 (0.43) MAPTKDM4EHTTALDH1A1MEN1
Hydrochloric Acid SCHEMBL8051565 0.73 MAPT (0.52) MAPTKDM4EPOLBFABP5CACNA2D1

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-9278990-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-03-08 US disclosed
US-9278990-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-03-08 US disclosed
US-20150038451-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2015-02-05 US disclosed
US-20150038451-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2015-02-05 US disclosed
US-8871737-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-10-28 US disclosed
US-8871737-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-10-28 US disclosed
WO-2012040127-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 WO disclosed
US-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 US disclosed
US-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 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-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP MAPT 4059/4885KDM4E 3498/4885POLB 79/4885
US-20150038451-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP MAPT 4059/4885KDM4E 3498/4885POLB 79/4885

“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.