SCHEMBL721358

SCHEMBL721358

CCOC(=O)CCNC(=O)c1ccc(NC(c2oc3ccc(OCCCS(C)(=O)=O)cc3c2C)C2CCCCC2)cc1.Cc1c(C(Nc2ccc(C(=O)NCCC(=O)O)cc2)C2CCCCC2)oc2ccc(OCCCS(C)(=O)=O)cc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GCG P01275 10/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL719243 0.97 MEN1 (0.42) MEN1KMT2AGCGMAPTSMN1; SMN2
SCHEMBL3401958 0.95 GCG (0.41) GCGMAPTNPC1RAB9A
SCHEMBL721612 0.90 MEN1 (0.40) MEN1KMT2AGCGMAPTSMN1; SMN2
SCHEMBL718361 0.89 MEN1 (0.44) MEN1KMT2AGCGMAPTSMN1; SMN2
SCHEMBL719039 0.88 MEN1 (0.42) MEN1KMT2AGCGMAPTSMN1; SMN2
SCHEMBL720090 0.88 KDM4E (0.34) KMT2AMAPTNPC1RAB9AKDM4E
SCHEMBL716647 0.88 MEN1 (0.42) MEN1KMT2AGCGMAPTSMN1; SMN2
SCHEMBL721484 0.86 GCG (0.43) GCGMAPTNPC1RAB9A
SCHEMBL718026 0.86 MEN1 (0.43) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL719411 0.86 KDM4E (0.35) KMT2AMAPTNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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 (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-20120053173-A1 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.