SCHEMBL2743588

SCHEMBL2743588

CC(C)(O)c1ccc(C(=O)Nc2nc3ccc(N4CCNCC4)nc3s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.44
HDAC2 Q92769 6/20 0.44
HDAC1 Q13547 2/20 0.43
NCOR2 Q9Y618 1/20 0.43
MAP3K5 Q99683 1/20 0.43
LRRK2 Q5S007 8/20 0.41
TYR P14679 1/20 0.40
SCN9A Q15858 1/20 0.40
KCNH2 Q12809 2/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2743905 0.91 MAP3K5 (0.45) MAP3K5LRRK2TYRMEN1KMT2A
SCHEMBL2743490 0.90 SCD (0.45) MAP3K5LRRK2TYRMEN1NPC1
SCHEMBL2743488 0.89 SMN1; SMN2 (0.48) HDAC3HDAC2MAP3K5LRRK2TYR
SCHEMBL2743580 0.89 MAP3K5 (0.39) HDAC3HDAC2HDAC1NCOR2MAP3K5
SCHEMBL2743511 0.88 LRRK2 (0.55) MAP3K5LRRK2KDM4E
SCHEMBL2743537 0.88 HPGDS (0.40) MAP3K5LRRK2TYRKDM4EMEN1
SCHEMBL2743373 0.87 MAPT (0.45) MAP3K5LRRK2TYRKDM4EMEN1
SCHEMBL2743929 0.87 MAP3K5 (0.42) MAP3K5LRRK2TYRKDM4EMEN1
SCHEMBL2743593 0.87 MAP3K5 (0.42) MAP3K5LRRK2TYRKDM4EMEN1
SCHEMBL2743728 0.87 MAP3K5 (0.41) MAP3K5LRRK2TYRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US claimed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US claimed
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
WO-2010008843-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 WO disclosed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US 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-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD HDAC3 1478/4885HDAC2 2068/4885HDAC1 1102/4885

“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.