SCHEMBL2955096

SCHEMBL2955096

CN(C)CC(=O)Nc1cc2ccccc2c(N2CCCCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.43
HPGD P15428 1/20 0.41
ATM Q13315 3/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPY5R Q15761 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MAPT P10636 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GFER P55789 1/20 0.39
TP53 P04637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL2953849 0.78 L3MBTL1 (0.47) HPGDATMKDM4EL3MBTL1MAPK1
SCHEMBL2950708 0.75 CNR1 (0.45) PARP1SMN1; SMN2
SCHEMBL4265255 0.74 ALDH1A1 (0.45) KDM4EL3MBTL1MAPK1SMN1; SMN2MAPT
SCHEMBL17706157 0.73 ELOVL1 (0.39) HPGDATMKDM4EL3MBTL1MAPK1
SCHEMBL4174047 0.73 CACNA1G (0.49) HPGDKDM4EL3MBTL1MAPK1SMN1; SMN2
SCHEMBL4792572 0.70 CHRM1 (0.53) HPGDKDM4EL3MBTL1MAPK1SMN1; SMN2
SCHEMBL19563519 0.69 MAPK1 (0.41) HPGDATMKDM4EL3MBTL1MAPK1
SCHEMBL4262506 0.66 NCF1 (0.56) HPGDATMKDM4EL3MBTL1MAPK1
SCHEMBL6331261 0.65 MAPT (0.62) HPGDKDM4EMAPTMEN1KMT2A
SCHEMBL26134146 0.64 NCF1 (0.50) HPGDATMKDM4EL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-02 US disclosed
US-7759336-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-20 US disclosed
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-19 US disclosed
EP-1571146-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-09-07 EP 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 (3 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-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 PARP1 1917/4885HPGD 34/4885ATM 3194/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 PARP1 1917/4885HPGD 34/4885ATM 3194/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 PARP1 1917/4885HPGD 34/4885ATM 3194/4885

“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.