SCHEMBL12791985

SCHEMBL12791985

CC1=[N+](CCS(=O)(=O)O)c2ccc(C)cc2C1(C)C

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
MAPT P10636 2/20 0.60
HTT P42858 2/20 0.60
KMT2A Q03164 2/20 0.60
LMNA P02545 1/20 0.60
THRB P10828 1/20 0.60
RECQL P46063 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
PTPN1 P18031 1/20 0.32
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL12146331 0.91 MEN1 (0.56) MEN1MAPTHTTKMT2ALMNA
SCHEMBL12267581 0.86 MEN1 (0.43) MEN1MAPTHTTKMT2ALMNA
SCHEMBL12786509 0.84 MAPT (0.40) MEN1MAPTHTTKMT2ALMNA
SCHEMBL3877735 0.84 TDP1 (0.42) MEN1MAPTHTTKMT2ALMNA
SCHEMBL15501082 0.84 MEN1 (0.42) MEN1MAPTHTTKMT2ALMNA
Bromide SCHEMBL9001261 0.83 MAPT (0.39) MEN1MAPTHTTKMT2ALMNA
SCHEMBL12893718 0.82 MAPT (0.67) MEN1MAPTHTTKMT2ALMNA
SCHEMBL3873489 0.82 MAPT (0.40) MEN1MAPTHTTKMT2ALMNA
SCHEMBL12791990 0.81 KMT2A (0.61) MEN1MAPTHTTKMT2ALMNA
SCHEMBL14221833 0.80 MEN1 (0.69) MEN1MAPTHTTKMT2ALMNA

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-20110054188-A1 NEAR INFRARED FLUORESCENT IMAGING AGENT FUJIFILM CORPORATION (JP) 2011-03-03 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-20110054188-A1 NEAR INFRARED FLUORESCENT IMAGING AGENT MSR1, IK, RXFP1 MEN1 96/4885MAPT 3244/4885HTT 4291/4885

“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.