SCHEMBL3107665

SCHEMBL3107665

COc1ccc(-c2cc(C(CC(C)C)Nc3ccc(C(=O)O)nc3)c(C)o2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.39
NPC1 O15118 3/20 0.37
LMNA P02545 3/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
PABPC1 P11940 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
MAPT P10636 2/20 0.35
GABRA1 P14867 1/20 0.35
PIK3CA P42336 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
USP2 O75604 1/20 0.35
DGAT1 O75907 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
SCHEMBL3106683 0.89 GCGR (0.47)
SCHEMBL3107497 0.88 DGAT1 (0.36) HDAC6NPC1LMNAPKMRAB9A
SCHEMBL3100074 0.85 GCGR (0.39) HDAC6KMT2AMEN1MAPTKDM4E
SCHEMBL3099769 0.84 DGAT1 (0.33) HDAC6NPC1RAB9AKMT2AMEN1
SCHEMBL3099544 0.82 GCG (0.47) HDAC6
SCHEMBL3102341 0.82 HDAC6 (0.39) HDAC6NPC1RAB9AJAK2JAK1
SCHEMBL3090382 0.79 BRAF (0.40) HDAC6NPC1RAB9AGABRA1
SCHEMBL3102355 0.78 HDAC6 (0.37) HDAC6NPC1RAB9AJAK2JAK1
SCHEMBL3106989 0.77 NPC1 (0.39) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL3099760 0.76 HDAC6 (0.41) HDAC6JAK2JAK1TYK2JAK3

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 HDAC6 2860/4885NPC1 3994/4885LMNA 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.