SCHEMBL3404568

SCHEMBL3404568

COc1cccc(SCc2ccccc2)c1C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
PTGS2 P35354 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 3/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.42
CTSB P07858 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
PTPRC P08575 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
SCHEMBL10741537 0.87 TAAR1 (0.50) TAAR1CA12CA1CA2CA7
SCHEMBL3888294 0.80 L3MBTL1 (0.55) CA12CA1CA2CA7CA9
Formaldehyde SCHEMBL28320418 0.79 RAB9A (0.51) CA12CA1CA2CA7CA9
SCHEMBL11848920 0.77 KMT2A (0.55) L3MBTL1RAB9AKMT2AALDH1A1GAA
SCHEMBL3397850 0.75 RAB9A (0.46) L3MBTL1RAB9AKMT2AALDH1A1GAA
SCHEMBL4407078 0.75 MTNR1A (0.49) PTGS2L3MBTL1RAB9AKMT2AMTNR1A
SCHEMBL4541917 0.75 RXRA (0.58) KMT2AMTNR1AMTNR1BALDH1A1POLB
SCHEMBL10744750 0.75 L3MBTL1 (0.43) TAAR1PTGS2L3MBTL1RAB9AKMT2A
SCHEMBL6451155 0.75 RXRA (0.57) TAAR1CA12CA1CA2CA7
SCHEMBL8627498 0.74 MAPT (0.53) L3MBTL1RAB9AKMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253633-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-20090233937-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-17 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-20090233937-A1 FUSED HETEROCYCLIC COMPOUND ROS1, JAK2, ERBB2 TAAR1 1196/4885CA12 3058/4885CA1 2220/4885

“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.