SCHEMBL717217

SCHEMBL717217

COc1ccc(-n2cc(C(O)CC(C)C)c(C(C)C)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.40
RAB9A P51151 3/20 0.40
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MIF P14174 1/20 0.38
RORC P51449 2/20 0.37
MAPKAPK2 P49137 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ADORA3 P0DMS8 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
PTGS2 P35354 1/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL720509 0.84 RAB9A (0.44) P2RX7RAB9AHTTKDM4ESMN1; SMN2
SCHEMBL23400080 0.76 MIF (0.44) P2RX7RAB9AHTTKDM4ESMN1; SMN2
SCHEMBL23401287 0.74 MIF (0.44) P2RX7RAB9AHTTKDM4ESMN1; SMN2
SCHEMBL717648 0.71 L3MBTL1 (0.58) MAPKAPK2CA12CA9CA1CA2
SCHEMBL719988 0.70 MEN1 (0.56) RAB9AMIFMAPKAPK2CA12CA9
SCHEMBL23401324 0.68 RAB9A (0.47) P2RX7RAB9AHTTKDM4ESMN1; SMN2
SCHEMBL23399146 0.68 RAB9A (0.49) P2RX7RAB9AHTTKDM4ESMN1; SMN2
SCHEMBL11251522 0.67 AOC3 (0.58) RAB9ACA12CA9CA1CA2
SCHEMBL721464 0.65 KDM4E (0.42) P2RX7RAB9AHTTKDM4ESMN1; SMN2
SCHEMBL720503 0.65 IDO1 (0.42) P2RX7RAB9AHTTKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP P2RX7 2234/4885RAB9A 2454/4885HTT 1337/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP P2RX7 2234/4885RAB9A 2454/4885HTT 1337/4885

“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.