SCHEMBL4544319

SCHEMBL4544319

CCOC(=O)c1c(N)cn(C)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.45
HSD17B10 Q99714 3/20 0.45
FHIT P49789 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PDE4D Q08499 1/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL11212558 0.82 KMT2A (0.50) MAPTALDH1A1HPGDGAASMN1; SMN2
SCHEMBL23499036 0.81 KMT2A (0.49) MAPTALDH1A1HPGDGAASMN1; SMN2
SCHEMBL1566796 0.80 ALDH1A1 (0.42) MAPTALDH1A1HPGDGAASMN1; SMN2
SCHEMBL21428171 0.79 KMT2A (0.47) MAPTALDH1A1HPGDGAASMN1; SMN2
Hydrochloric Acid SCHEMBL1566794 0.79 KMT2A (0.44) MAPTALDH1A1HPGDGAASMN1; SMN2
SCHEMBL23498810 0.77 KMT2A (0.45) MAPTALDH1A1HPGDGAASMN1; SMN2
SCHEMBL25529049 0.76 MAPT (0.47) MAPTALDH1A1HPGDGAASMN1; SMN2
SCHEMBL6834500 0.75 ALDH1A1 (0.51) MAPTALDH1A1HPGDGAASMN1; SMN2
SCHEMBL23498397 0.74 KMT2A (0.43) MAPTALDH1A1HPGDGAASMN1; SMN2
SCHEMBL4544358 0.74 MAPT (0.52) MAPTALDH1A1HPGDSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150563-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-06 US disclosed
US-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-03 US disclosed
US-8648103-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-11 US disclosed
US-20120108639-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-03 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-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND NPR1, NPR3, NPC1 MAPT 4122/4885ALDH1A1 1307/4885HPGD 1638/4885
US-20120108639-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND NPR1, NPR3, NPPA MAPT 4291/4885ALDH1A1 725/4885HPGD 736/4885

“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.