Sugi Predict

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SCHEMBL2879638

SCHEMBL2879638

O=C(O)c1cnn(Cc2nc(-c3cccc(OCCSc4ccccc4)c3)cs2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ CSNK2A1 P68400 3/20 0.39
▸ EGLN1 Q9GZT9 3/20 0.38
▸ CPT2 P23786 1/20 0.37
▸ CPT1A P50416 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 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
SCHEMBL2857010 0.88 ALKBH1 (0.48) CSNK2A1EGLN1CPT2CPT1APPARD
SCHEMBL2862881 0.88 KMT2A (0.46) HDAC6CSNK2A1EGLN1PPARDPPARA
SCHEMBL1197885 0.87 CSNK2A1 (0.43) HDAC3HDAC8HDAC6CSNK2A1EGLN1
SCHEMBL1198990 0.86 EGLN1 (0.52) EGLN1PPARDPPARAALKBH1
SCHEMBL12875775 0.86 RXRA (0.50) CSNK2A1EGLN1PPARDPPARAALDH1A1
SCHEMBL1198543 0.85 GAA (0.44) HDAC3HDAC8HDAC6CSNK2A1EGLN1
SCHEMBL1197517 0.84 CSNK2A1 (0.53) CSNK2A1EGLN1MEN1KMT2AALDH1A1
SCHEMBL1198881 0.83 ALDH1A1 (0.43) CSNK2A1EGLN1CPT2CPT1APPARD
SCHEMBL2859048 0.83 HDAC3 (0.40) HDAC3HDAC8HDAC6CSNK2A1EGLN1
SCHEMBL1198994 0.82 NR1H4 (0.46) CSNK2A1EGLN1CPT2CPT1APPARD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 — — US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 — — US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 — — US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 — — US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 — — EP disclosed
WO-2009123316-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF 武田薬品工業株式会社 (JP) 2009-10-08 — — 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 (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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A HDAC3 692/4885HDAC8 1333/4885HDAC6 2096/4885

“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.