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SCHEMBL718053

SCHEMBL718053

COc1ncccc1-c1ccc2oc(C(Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)C(C)C)c(C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 5/20 0.40
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ PTGS2 P35354 1/20 0.35
▸ GCG P01275 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GCGR P47871 1/20 0.34
▸ KLKB1 P03952 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ABL1 P00519 1/20 0.32
▸ GSK3B P49841 1/20 0.32

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
SCHEMBL716917 0.93 HDAC3 (0.37) FFAR4HDAC3HDAC1HDAC2HDAC8
SCHEMBL13069674 0.88 FFAR4 (0.34) FFAR4HDAC3HDAC1HDAC2HDAC8
SCHEMBL720474 0.86 PTGS2 (0.43) FFAR4HDAC3HDAC1HDAC2HDAC8
SCHEMBL719610 0.84 BTK (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL718031 0.80 PTGS2 (0.37) FFAR4HDAC3HDAC1HDAC2HDAC8
SCHEMBL2669991 0.80 NAMPT (0.40) HDAC3HDAC1HDAC6GCGNPC1
SCHEMBL720636 0.80 CASP3 (0.44) NPC1RAB9AKMT2A
SCHEMBL720246 0.80 NPC1 (0.43) NPC1RAB9AKMT2AABL1
SCHEMBL720184 0.78 BTK (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2669953 0.77 BTK (0.41) HDAC1HDAC2HDAC8HDAC6GCG

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-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
WO-2009110520-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-09-11 — — WO 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 FFAR4 1777/4885HDAC3 135/4885HDAC1 91/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP FFAR4 1777/4885HDAC3 135/4885HDAC1 91/4885

“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.