SCHEMBL17158654

SCHEMBL17158654

CN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1.Cc1ccccc1S(=O)(=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.58
▸ KMT2A Q03164 8/20 0.58
▸ MAPT P10636 5/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ HTT P42858 4/20 0.58
▸ NPSR1 Q6W5P4 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ GFER P55789 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ THRB P10828 2/20 0.58
▸ ALPG P10696 1/20 0.58
▸ RAB9A P51151 7/20 0.48
▸ NPC1 O15118 5/20 0.48
▸ GAA P10253 2/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ BRCA1 P38398 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ HBB P68871 1/20 0.48
▸ APOBEC3A P31941 3/20 0.46
▸ APOBEC3G Q9HC16 3/20 0.46

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
SCHEMBL2160671 1.00 MEN1 (0.58) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL531127 0.81 MEN1 (0.63) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL531126 0.81 MEN1 (0.63) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL1402879 0.80 MEN1 (0.58) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL9140957 0.79 MEN1 (0.69) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL8991523 0.79 MEN1 (0.69) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL1898081 0.78 MEN1 (0.96) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL1898080 0.78 MEN1 (0.96) MEN1KMT2AMAPTSMN1; SMN2HTT
Iodide SCHEMBL531167 0.76 MEN1 (1.00) MEN1KMT2AMAPTSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL28626064 0.76 MEN1 (0.92) MEN1KMT2AMAPTSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9702870-B2 Fluorescent dyes and related methods UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2017-07-11 — — US disclosed
US-20160313312-A1 Fluorescent Dyes and Related Methods UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2016-10-27 — — US disclosed
US-9410947-B2 Fluorescent dyes and related methods UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2016-08-09 — — US disclosed
US-20150293080-A1 Fluorescent Dyes and Related Methods NATIONAL SCIENCE FOUNDATION 2015-10-15 — — 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 (2 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-20160313312-A1 Fluorescent Dyes and Related Methods HNRNPH3, CDC73, EWSR1 MEN1 3696/4885KMT2A 3128/4885MAPT 3630/4885
US-20150293080-A1 Fluorescent Dyes and Related Methods CDC73, DDB1, HNRNPH3 MEN1 3817/4885KMT2A 3437/4885MAPT 3840/4885

“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.

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