SCHEMBL719015

SCHEMBL719015

CCc1c(C(CC(C)C)Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)oc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCG P01275 6/20 0.41
ABCB1 P08183 2/20 0.37
HDAC6 Q9UBN7 2/20 0.36
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MCHR1 Q99705 1/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL718376 0.89 GCG (0.39) GCGHDAC6NAMPTNPSR1HTT
SCHEMBL719400 0.84 GCG (0.51) GCGL3MBTL1KDM4ELMNAMAPT
SCHEMBL719401 0.79 MCL1 (0.38) GCGALDH1A1KMT2AKDM4ELMNA
SCHEMBL2669790 0.78 CASP3 (0.42) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL720202 0.77 KMT2A (0.46) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL3093925 0.76 GCG (0.42) GCGHDAC6NAMPTALDH1A1L3MBTL1
SCHEMBL721127 0.76 RAB9A (0.39) GCGHDAC6L3MBTL1MCHR1NPSR1
SCHEMBL719666 0.75 MAOB (0.38) GCGALDH1A1NPSR1KMT2AKDM4E
SCHEMBL2669921 0.75 GCG (0.41) GCGHDAC6NAMPTMCHR1NPSR1
SCHEMBL719322 0.75 KMT2A (0.43) ALDH1A1L3MBTL1MEN1KMT2AKDM4E

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 10 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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
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-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 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
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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 GCG 35/4885ABCB1 1404/4885HDAC6 274/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885ABCB1 1404/4885HDAC6 274/4885

“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.