SCHEMBL3099797

SCHEMBL3099797

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2cc(-c3ccc(OCSC)cc3)oc2C)C2CCCCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
ESR1 P03372 1/20 0.33
IDH1 O75874 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
MMP13 P45452 2/20 0.31
TP53 P04637 1/20 0.31
PDE2A O00408 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL3106498 0.93 ESR1 (0.34) KMT2AMEN1LMNAMAPTGAA
SCHEMBL3096006 0.89 ESR1 (0.34) KMT2AMEN1LMNAMAPTGAA
SCHEMBL3110132 0.89 ESR1 (0.34) KMT2AMEN1LMNAMAPTGAA
SCHEMBL3110170 0.87 MEN1 (0.42) KMT2AMEN1LMNAMAPTGAA
SCHEMBL13094285 0.86 SLC6A9 (0.34) KMT2AMEN1LMNAMAPTGAA
SCHEMBL3095180 0.85 HDAC6 (0.35) KMT2AMEN1IDH1NPC1RAB9A
SCHEMBL3090944 0.84 RCE1 (0.43) KMT2AMEN1LMNAMAPTGAA
SCHEMBL3094591 0.84 L3MBTL1 (0.34) KMT2AMEN1MAPTIDH1NPC1
SCHEMBL3107473 0.82 MEN1 (0.37) KMT2AMEN1MAPTIDH1P2RY12
SCHEMBL3099349 0.82 MCHR1 (0.35) MAPTIDH1

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
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR KMT2A 2159/4885MEN1 233/4885LMNA 2457/4885

“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.