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SCHEMBL1198645

SCHEMBL1198645

O=C(O)c1cnn(Cc2nc(-c3cccc(CCc4ccccc4)c3)cs2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KLKB1 P03952 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HDAC3 O15379 4/20 0.41
▸ HDAC8 Q9BY41 4/20 0.41
▸ HDAC6 Q9UBN7 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HDAC1 Q13547 4/20 0.40
▸ HDAC4 P56524 3/20 0.39
▸ HDAC7 Q8WUI4 3/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ HDAC10 Q969S8 3/20 0.39
▸ HDAC11 Q96DB2 3/20 0.39

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
SCHEMBL1199302 0.89 HDAC3 (0.44) KDM4ENPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL12875981 0.88 KLKB1 (0.41) KDM4ENPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL1198915 0.88 RAB9A (0.51) KDM4ENPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL2857010 0.88 ALKBH1 (0.48) KDM4ENPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL27827176 0.86 TSHR (0.44) KDM4ENPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL1199101 0.86 ALDH1A1 (0.45) KDM4ENPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL1198990 0.85 EGLN1 (0.52) NR1H4
SCHEMBL1199156 0.85 KDM4E (0.49) KDM4ENPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL12875682 0.85 SIRT5 (0.44) KDM4ENPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL1198883 0.85 EIF4E (0.46) KDM4ENPC1RAB9ASMN1; SMN2KLKB1

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 8 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-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
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 KDM4E 1877/4885NPC1 3877/4885RAB9A 2507/4885

“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.