SCHEMBL4544335

SCHEMBL4544335

Cc1nc(CCOC=O)cs1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL325134 0.82 PKM (0.46) PKMSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL19225794 0.78 SMN1; SMN2 (0.45) PKMSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL10031019 0.77 PKM (0.51) PKMSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL26110823 0.77 SMN1; SMN2 (0.44) PKMSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL5494804 0.77 PKM (0.46) PKMSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL16252213 0.75 SMN1; SMN2 (0.47) PKMSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL18255912 0.75 TP53 (0.45) PKMSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL19220757 0.74 PKM (0.41) PKMSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL2642121 0.74
SCHEMBL27707291 0.72 NOS1 (0.34) SMN1; SMN2NPC1RAB9AALDH1A1

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 PKM 1118/4885SMN1; SMN2 3650/4885MAPT 4122/4885
US-20120108639-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND NPR1, NPR3, NPPA PKM 728/4885SMN1; SMN2 2228/4885MAPT 4291/4885

“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.