SCHEMBL10111599

SCHEMBL10111599

CC1(C)C(/C=C/Nc2ccccc2)=[N+](CCCS(=O)(=O)O)c2cccc(C(=O)O)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
MMP14 P50281 1/20 0.41
MLNR O43193 1/20 0.38
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
ADRB1 P08588 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
CNR1 P21554 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
SLC6A2 P23975 1/20 0.38
HRH2 P25021 1/20 0.38

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
SCHEMBL10111606 0.94 MLNR (0.42) MEN1KMT2ALMNAHTTMMP14
SCHEMBL15500296 0.89 MEN1 (0.36) MEN1KMT2ALMNAHTTMMP14
SCHEMBL15580858 0.88 MEN1 (0.43) MEN1KMT2ALMNAHTTMMP14
SCHEMBL19052120 0.87 MEN1 (0.39) MEN1KMT2ALMNAHTTMMP14
SCHEMBL136715 0.85 BLM (0.43) MEN1KMT2ALMNAHTTMMP14
SCHEMBL10111563 0.85 MEN1 (0.52) MEN1KMT2ALMNAHTTMMP14
SCHEMBL19976556 0.82 MLNR (0.38) MEN1KMT2ALMNAHTTMMP14
SCHEMBL19052118 0.82 MLNR (0.38) MEN1KMT2ALMNAHTTMMP14
SCHEMBL19976535 0.82 MEN1 (0.40) MEN1KMT2ALMNAHTTMMP14
SCHEMBL19052121 0.81 MLNR (0.42) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183501-A1 Cyanine Dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-06-29 US disclosed
US-9441270-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-09-13 US disclosed
US-20150072894-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-03-12 US disclosed
US-8889886-B2 Cyanine dyes PACIFIC BIOSCIENCES, INC. (US) 2014-11-18 US disclosed
US-20120052506-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 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-20120052506-A1 CYANINE DYES ABCG2, IK, ACR MEN1 2288/4885KMT2A 2564/4885LMNA 1823/4885

“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.