SCHEMBL3825907

SCHEMBL3825907

CC1(C)C(C=CNc2ccccc2)=[N+](CCCCCC(=O)O)c2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MMP14 P50281 1/20 0.41
KMT2A Q03164 1/20 0.41
FOLH1 Q04609 4/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
TBXA2R P21731 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ADORA1 P30542 1/20 0.34
NPY4R P50391 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
ADRB2 P07550 1/20 0.34
HTR1A P08908 1/20 0.34
PTPN1 P18031 1/20 0.33
FABP1 P07148 1/20 0.33
HRH2 P25021 2/20 0.33
CHRM2 P08172 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
SCHEMBL14781528 1.00 MEN1 (0.41) MEN1LMNAHTTMMP14KMT2A
Betaine SCHEMBL3894774 0.96 MEN1 (0.38) MEN1LMNAHTTMMP14KMT2A
SCHEMBL3824519 0.94 FOLH1 (0.41) MEN1LMNAHTTMMP14KMT2A
SCHEMBL3824520 0.94 FOLH1 (0.41) MEN1LMNAHTTMMP14KMT2A
SCHEMBL12952135 0.94 FOLH1 (0.41) MEN1LMNAHTTMMP14KMT2A
SCHEMBL13567292 0.93 FOLH1 (0.42) MEN1LMNAHTTMMP14KMT2A
SCHEMBL559229 0.93 MEN1 (0.41) MEN1LMNAHTTMMP14KMT2A
SCHEMBL30267298 0.93 MEN1 (0.41) MEN1LMNAHTTMMP14KMT2A
SCHEMBL559228 0.93 MEN1 (0.41) MEN1LMNAHTTMMP14KMT2A
SCHEMBL18439064 0.88 MEN1 (0.40) MEN1LMNAHTTMMP14KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180156810-A1 FLUORESCENT COMPOUNDS BIOTIUM, INC. 2018-06-07 US disclosed
US-9791450-B2 Fluorescent compounds BIOTIUM, INC. (US) 2017-10-17 US disclosed
EP-2223086-B2 FLUORESCENT COMPOUNDS - LABELING DYES BIOTIUM INC (US) 2016-06-01 EP disclosed
US-20160033520-A1 FLUORESCENT COMPOUNDS BIOTIUM, INC. 2016-02-04 US disclosed
US-9097667-B2 Fluorescent compounds BIOTIUM, INC. (US) 2015-08-04 US disclosed
EP-2223086-B1 FLUORESCENT COMPOUNDS - LABELING DYES BIOTIUM INC (US) 2013-03-20 EP disclosed
US-20090305410-A1 FLUORESCENT COMPOUNDS BIOTIUM, INC. (US) 2009-12-10 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-20090305410-A1 FLUORESCENT COMPOUNDS MKI67, CD68, CA5B MEN1 1677/4885LMNA 539/4885HTT 1441/4885

“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.