SCHEMBL3215077

SCHEMBL3215077

N#CCOCC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
CES1 P23141 1/20 0.47
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 3/20 0.44
GSK3B P49841 2/20 0.44
PTPN1 P18031 2/20 0.44
TRPA1 O75762 1/20 0.44
HIF1A Q16665 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL31612282 0.82 TDP1 (0.48) MAPTHPGDTDP1SMN1; SMN2KMT2A
SCHEMBL864716 0.82 MAPT (0.61) MAPTHPGDTDP1SMN1; SMN2KMT2A
SCHEMBL9155420 0.81 MAPT (0.47) MAPTHPGDTDP1SMN1; SMN2KMT2A
SCHEMBL11884647 0.79 L3MBTL1 (0.50) MAPTHPGDTDP1SMN1; SMN2KMT2A
SCHEMBL30852830 0.77 MMP2 (0.55) MAPTHPGDTDP1SMN1; SMN2KMT2A
SCHEMBL3136962 0.76 TDP1 (0.54) MAPTHPGDTDP1SMN1; SMN2KMT2A
Biphenyl SCHEMBL9787041 0.76 L3MBTL1 (0.58) MAPTHPGDTDP1SMN1; SMN2KMT2A
SCHEMBL3194897 0.76 TDP1 (0.54) MAPTHPGDTDP1SMN1; SMN2KMT2A
SCHEMBL27197691 0.75 L3MBTL1 (0.56) MAPTHPGDTDP1SMN1; SMN2KMT2A
SCHEMBL5854020 0.75 MAPT (0.52) MAPTHPGDTDP1SMN1; SMN2KMT2A

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-8324257-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-20100041719-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-02-18 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-20100041719-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIF18B MAPT 105/4885HPGD 3739/4885TDP1 174/4885

“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.