SCHEMBL3901072

SCHEMBL3901072

CC1(C)C(/C=C/Nc2ccccc2)=[N+](CCCS(=O)(=O)O)c2ccc(S(=O)(=O)O)cc21.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
MMP14 P50281 1/20 0.42
PTPN1 P18031 1/20 0.39
ADRB2 P07550 2/20 0.35
HTR1A P08908 2/20 0.35
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
ADRB1 P08588 1/20 0.35
ADORA3 P0DMS8 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
SCHEMBL3901077 1.00 MEN1 (0.42) MEN1KMT2ALMNAHTTMMP14
SCHEMBL1656266 0.99 MEN1 (0.43) MEN1KMT2ALMNAHTTMMP14
SCHEMBL13567272 0.99 MEN1 (0.43) MEN1KMT2ALMNAHTTMMP14
SCHEMBL3901075 0.98 MEN1 (0.42) MEN1KMT2ALMNAHTTMMP14
SCHEMBL1658645 0.93 PTPN1 (0.41) MEN1KMT2ALMNAHTTMMP14
SCHEMBL1658644 0.93 PTPN1 (0.41) MEN1KMT2ALMNAHTTMMP14
SCHEMBL14404492 0.92 PTPN1 (0.41) MEN1KMT2ALMNAHTTMMP14
SCHEMBL7018706 0.92 PTPN1 (0.41) MEN1KMT2ALMNAHTTMMP14
SCHEMBL10111563 0.88 MEN1 (0.52) MEN1KMT2ALMNAHTTMMP14
SCHEMBL3825907 0.87 MEN1 (0.41) MEN1KMT2ALMNAHTTMMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553869-B2 Protein probe compounds, compositions, and methods PIERCE BIOTECHNOLOGY, INC. (US) 2009-06-30 US disclosed
US-20080026478-A1 PROTEIN PROBE COMPOUNDS, COMPOSITIONS, AND METHODS PIERCE BIOTECHNOLOGY, INC. (US) 2008-01-31 US disclosed
WO-2008013543-A1 PROTEIN PROBE COMPOUNDS, COMPOSITIONS, AND METHODS PIERCE BIOTECHNOLOGY, INC. (US) 2008-01-31 WO 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-20080026478-A1 PROTEIN PROBE COMPOUNDS, COMPOSITIONS, AND METHODS HIRA, CUTA, MRPS27 MEN1 460/4885KMT2A 1195/4885LMNA 299/4885

“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.