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Sugi Predict / Compounds / SCHEMBL2868652

SCHEMBL2868652

SCHEMBL2868652

O=C(O)c1cnn(Cc2nc(-c3cc(OCc4ccc(F)cc4)cc(C(F)(F)F)c3)cs2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALKBH1 Q13686 3/20 0.45
▸ PPARD Q03181 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ NR4A2 P43354 2/20 0.38
▸ KDM5A P29375 2/20 0.37
▸ KDM4C Q9H3R0 2/20 0.37
▸ KDM5B Q9UGL1 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37

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
SCHEMBL2860292 0.94 ALDH1A1 (0.42) ALKBH1PPARDKDM4EALDH1A1MEN1
SCHEMBL2859042 0.91 ALKBH1 (0.49) ALKBH1PPARDKDM4EALDH1A1MEN1
SCHEMBL1197965 0.90 ALKBH1 (0.49) ALKBH1PPARDKDM4EALDH1A1MEN1
SCHEMBL1198589 0.88 MMP13 (0.40) PPARDKDM4EALDH1A1MEN1KMT2A
SCHEMBL2861490 0.87 ALKBH1 (0.44) ALKBH1PPARDKDM4EALDH1A1MEN1
SCHEMBL1198715 0.87 ALDH1A1 (0.42) ALKBH1PPARDKDM4EALDH1A1MEN1
SCHEMBL2858483 0.87 NR4A2 (0.49) ALKBH1KDM4EALDH1A1KMT2ANR4A2
Trifluoroacetic Acid SCHEMBL2863073 0.86 GPR132 (0.39) PPARDKDM4EALDH1A1MEN1KMT2A
SCHEMBL12876610 0.86 PPARD (0.39) PPARDKDM4EALDH1A1MEN1KMT2A
SCHEMBL2865997 0.85 MEN1 (0.38) ALKBH1PPARDKDM4EALDH1A1MEN1

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 ALKBH1 1916/4885PPARD 288/4885KDM4E 1877/4885

“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.