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SCHEMBL1199302

SCHEMBL1199302

O=C(O)c1cnn(Cc2nc(-c3cccc(-c4ccccc4)c3)cs2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KLKB1 P03952 2/20 0.43
▸ CD74 P04233 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MIF P14174 1/20 0.43
▸ KMO O15229 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.42
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41

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
SCHEMBL1198915 0.92 RAB9A (0.51) HDAC3HDAC8HDAC6NPC1RAB9A
SCHEMBL27827176 0.90 TSHR (0.44) HDAC3HDAC8HDAC6NPC1RAB9A
SCHEMBL1198645 0.89 KDM4E (0.43) HDAC3HDAC8HDAC6NPC1RAB9A
SCHEMBL1198883 0.89 EIF4E (0.46) HDAC3HDAC8HDAC6NPC1RAB9A
SCHEMBL1198214 0.89 EGLN1 (0.47) HDAC3HDAC8HDAC6NPC1RAB9A
SCHEMBL1199156 0.89 KDM4E (0.49) HDAC3HDAC8HDAC6NPC1RAB9A
SCHEMBL27827177 0.89 CSNK2A2 (0.51) HDAC3HDAC8HDAC6NPC1RAB9A
SCHEMBL12875682 0.89 SIRT5 (0.44) HDAC3HDAC8HDAC6NPC1RAB9A
SCHEMBL1198736 0.89 RAB9A (0.51) HDAC3HDAC8HDAC6NPC1RAB9A
SCHEMBL1197723 0.89 HDAC3 (0.43) HDAC3HDAC8HDAC6NPC1RAB9A

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
CN-102056907-A Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL 2011-05-11 — — CN 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

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.