SCHEMBL1005344

SCHEMBL1005344

COC(=O)c1scc(N)c1NC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MAPT P10636 4/20 0.44
PKM P14618 1/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 6/20 0.44
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
POLB P06746 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR1A P08908 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
GAA P10253 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
SCHEMBL27911327 0.83 L3MBTL1 (0.41) KMT2AMAPTPKMKDM4EPOLB
SCHEMBL23012362 0.81 MAPT (0.64) KMT2AMAPTPKMATMKDM4E
SCHEMBL2953619 0.80 KMT2A (0.48) KMT2AMAPTPKMATMKDM4E
SCHEMBL3369562 0.77 KDM4E (0.58) KMT2AMAPTPKMATMKDM4E
SCHEMBL2182359 0.75 KDM4E (0.49) KMT2AMAPTATMKDM4EALDH1A1
SCHEMBL16212934 0.75 KDM4E (0.49) KMT2AMAPTPKMATMKDM4E
SCHEMBL1007296 0.75 KMT2A (0.50) KMT2AMAPTPKMATMKDM4E
Hydrochloric Acid SCHEMBL2847474 0.74 KDM4E (0.47) KMT2AMAPTATMKDM4EALDH1A1
SCHEMBL2182364 0.72 KDM4E (0.46) KMT2AMAPTPKMATMKDM4E
Hydrochloric Acid SCHEMBL28668379 0.71 KDM4E (0.45) KMT2AMAPTPKMATMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 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 (1 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 KMT2A 1139/4885MAPT 4623/4885PKM 2797/4885

“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.