SCHEMBL716872

SCHEMBL716872

Cc1c(C(CC(C)C)Nc2ccc(C(=O)O)cc2)oc2ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.47
TTR P02766 3/20 0.44
PKM P14618 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TBXAS1 P24557 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
HIF1A Q16665 1/20 0.37
PLA2G4A P47712 1/20 0.37
POLB P06746 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL3397658 0.87 GCG (0.51)
SCHEMBL719401 0.86 MCL1 (0.38) MCL1TTRPKMRXFP1KCNH2
SCHEMBL717732 0.85 CA12 (0.52) TTRALDH1A1KDM4EMAPK1NPC1
SCHEMBL721057 0.82 MAOB (0.41) MAOBALDH1A1KDM4EMEN1KMT2A
SCHEMBL720180 0.81 MAOB (0.39) MCL1PKMRXFP1MAOBALDH1A1
SCHEMBL719666 0.81 MAOB (0.38) MCL1RXFP1MAOBALDH1A1KDM4E
SCHEMBL718863 0.74 TNKS (0.43) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL721777 0.74 NPC1 (0.51) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL718772 0.74 GCG (0.44) MCL1ALDH1A1KDM4ENPC1POLB
SCHEMBL720202 0.73 KMT2A (0.46) ALDH1A1KDM4EMEN1KMT2ANPC1

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 MCL1 900/4885TTR 764/4885PKM 2662/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MCL1 900/4885TTR 764/4885PKM 2662/4885

“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.