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SCHEMBL2865997

SCHEMBL2865997

O=C(O)c1cnn(Cc2nc(-c3cc(OCCc4ccsc4)cc(C(F)(F)F)c3)cs2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GCK P35557 1/20 0.38
▸ PPARD Q03181 1/20 0.36
▸ LNPEP Q9UIQ6 1/20 0.35
▸ ALKBH1 Q13686 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC7 Q8WUI4 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC10 Q969S8 2/20 0.33
▸ HDAC11 Q96DB2 2/20 0.33

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
SCHEMBL2861490 0.91 ALKBH1 (0.44) MEN1KMT2AALDH1A1KDM4EPPARD
SCHEMBL2859048 0.86 HDAC3 (0.40) MEN1KMT2AALDH1A1KDM4EGCK
SCHEMBL2858894 0.86 PPARD (0.39) MEN1KMT2AALDH1A1KDM4EPPARD
SCHEMBL2857106 0.86 PPARD (0.38) MEN1KMT2AALDH1A1KDM4EPPARD
SCHEMBL2868652 0.85 ALKBH1 (0.45) MEN1KMT2AALDH1A1KDM4EPPARD
SCHEMBL2860292 0.85 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KDM4EPPARD
SCHEMBL12876713 0.83 PPARG (0.39) GCKLNPEPALKBH1RXRARXRB
SCHEMBL1198836 0.83 RXRA (0.42) MEN1KMT2AALDH1A1KDM4EPPARD
SCHEMBL1198794 0.82 MEN1 (0.45) MEN1KMT2AALDH1A1KDM4EPPARD
SCHEMBL2861404 0.82 MEN1 (0.37) MEN1KMT2AALDH1A1KDM4EPPARD

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 MEN1 2661/4885KMT2A 3197/4885ALDH1A1 1037/4885

“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.