SCHEMBL718103

SCHEMBL718103

CCOC(=O)CCNC(=O)c1ccc(NC(c2sc3ncccc3c2C)C2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GCG P01275 10/20 0.40
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RCE1 Q9Y256 1/20 0.38
PDE7A Q13946 2/20 0.36
KDM4E B2RXH2 1/20 0.35
KIFC1 Q9BW19 1/20 0.35

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
SCHEMBL3403785 0.90 GCG (0.48) GCGRCE1
SCHEMBL719072 0.88 MEN1 (0.42) MEN1KMT2AGCGMAPTSMN1; SMN2
SCHEMBL718203 0.86 GCGR (0.45) MEN1KMT2AGCGMAPTSMN1; SMN2
SCHEMBL716928 0.86 NPC1 (0.38) MAPTNPC1CYP1A2CYP2C9HPGD
SCHEMBL716869 0.84 MEN1 (0.41) MEN1KMT2AGCGCYP1A2CYP2C19
SCHEMBL720081 0.84 MEN1 (0.41) MEN1KMT2AGCGCYP1A2CYP2C19
SCHEMBL721611 0.84 RCE1 (0.37) MEN1KMT2AGCGMAPTNPC1
SCHEMBL14905674 0.82 RCE1 (0.44) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL14905663 0.82 RCE1 (0.54) MAPTNPC1CYP1A2CYP2C9HPGD
SCHEMBL719154 0.82 GCG (0.43) MEN1KMT2AGCG

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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MEN1 444/4885KMT2A 1298/4885GCG 35/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MEN1 444/4885KMT2A 1298/4885GCG 35/4885

“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.