SCHEMBL1259379

SCHEMBL1259379

CC(=O)CCNC(=O)Cc1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.58
▸ LMNA P02545 3/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.55
▸ HPGD P15428 1/20 0.54
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ GAA P10253 2/20 0.53
▸ LTA4H P09960 1/20 0.52
▸ EPHX2 P34913 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.51
▸ HDAC1 Q13547 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50

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
SCHEMBL8269174 0.83 HDAC1 (0.50) RAB9AHPGDCA1CA2GAA
SCHEMBL27330601 0.83 ATM (0.65) RAB9ALMNAKMT2AALDH1A1HPGD
SCHEMBL8802829 0.81 CA12 (0.75) RAB9ALMNAKMT2AALDH1A1HPGD
SCHEMBL4949674 0.79 CA12 (0.60) RAB9ALMNAKMT2AALDH1A1CA12
SCHEMBL4950168 0.79 RAB9A (0.63) RAB9ALMNAKMT2AALDH1A1CA12
SCHEMBL8277246 0.78 ATM (0.58) LMNAALDH1A1HPGDGAAHDAC1
SCHEMBL11562184 0.76 HDAC3 (0.56) LMNAALDH1A1HPGDCA12CA1
SCHEMBL18405548 0.76 NPC1 (0.57) RAB9AKMT2AALDH1A1EPHX2SMN1; SMN2
SCHEMBL48545 0.76 GAA (0.53) RAB9ALMNAKMT2AALDH1A1GAA
SCHEMBL8803541 0.75 LTA4H (0.79) RAB9AKMT2AALDH1A1HPGDCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 — — US disclosed
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 — — US disclosed
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 — — US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 — — US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 — — US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 — — US disclosed
WO-2009136663-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 — — 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-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF ABL1, MAP4K2, MAP3K20 RAB9A 1508/4885LMNA 3734/4885KMT2A 650/4885

“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.

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