SCHEMBL2881408

SCHEMBL2881408

COc1ccccc1Cn1cnc2ccc(C=C3CNCS3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.43
HDAC1 Q13547 1/20 0.43
PPARG P37231 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 3/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
RCE1 Q9Y256 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL27702338 0.81 FLT3 (0.41) FLT3HDAC1PPARGL3MBTL1ALDH1A1
SCHEMBL2880230 0.80 MEN1 (0.55) HPGDGAA
SCHEMBL2880229 0.80 MEN1 (0.55) HPGDGAA
SCHEMBL2882522 0.77 CYP11B1 (0.33) HDAC1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL2882458 0.76 HTT (0.41) HDAC1ALDH1A1LMNAHTTHPGD
SCHEMBL15826413 0.73 FLT3 (0.49) FLT3HDAC1PPARGALDH1A1SMN1; SMN2
SCHEMBL2882234 0.71 GAA (0.41) HDAC1L3MBTL1ALDH1A1HTTHPGD
SCHEMBL19421575 0.64 FLT3 (0.49) FLT3HDAC1PPARGTSHRQPCT
SCHEMBL16103156 0.63 MAPT (0.42) ALDH1A1HTTHPGDRAB9ASMN1; SMN2
SCHEMBL16103153 0.63 MAPT (0.42) ALDH1A1HTTHPGDRAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 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-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B FLT3 294/4885HDAC1 3274/4885PPARG 2051/4885

“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.