SCHEMBL10446552

SCHEMBL10446552

O=Cc1cccc2c1CSc1ccccc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 2/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
AKR1B1 P15121 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PIM1 P11309 1/20 0.34
MAPK1 P28482 1/20 0.34
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL12998131 0.78 MIF (0.42) MIFMAOBMEN1KMT2ATDP1
SCHEMBL21183649 0.78 MIF (0.42) MIFMAOBMEN1KMT2ATDP1
SCHEMBL2601487 0.78 MIF (0.42) MIFMAOBMEN1KMT2ATDP1
SCHEMBL22261555 0.78 MIF (0.42) MIFMAOBMEN1KMT2ATDP1
SCHEMBL18796296 0.78 MAOB (0.49) MIFMAOBMEN1KMT2ATDP1
SCHEMBL10446873 0.78 MIF (0.42) MIFMAOBMEN1KMT2ATDP1
SCHEMBL2601430 0.75 PIM1 (0.44) MIFMAOBMEN1KMT2ATDP1
SCHEMBL2601428 0.74 ALDH1A1 (0.49) MIFMAOBMEN1KMT2ATDP1
SCHEMBL20924695 0.72 MAOB (0.43) MIFMAOBMEN1KMT2ATDP1
SCHEMBL22261538 0.72 MEN1 (0.45) MIFMAOBMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-07-19 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-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 MIF 1102/4885MAOB 1213/4885MEN1 4500/4885

“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.