SCHEMBL53084

SCHEMBL53084

Cc1cc[n+](CCC[N+](C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
CHKA P35790 1/20 0.39
BCHE P06276 8/20 0.39
ACHE P22303 8/20 0.39
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
Bromide SCHEMBL50943 0.98 HTT (0.53) HTTCHKABCHEACHEMEN1
SCHEMBL19946631 0.84 MEN1 (0.54) HTTCHKABCHEACHEMEN1
Hydrochloric Acid SCHEMBL29538521 0.83 MEN1 (0.52) HTTCHKABCHEACHEMEN1
SCHEMBL18234751 0.81 HTT (0.70) HTTCHKABCHEACHEMEN1
SCHEMBL12533280 0.81 HTT (0.77) HTTCHKABCHEACHEMEN1
SCHEMBL25525834 0.81 TP53 (0.41) HTTCHKABCHEACHEMEN1
SCHEMBL25525855 0.80 MEN1 (0.42) HTTCHKAMEN1TP53CYP1A2
SCHEMBL53656 0.79 HTT (0.57) HTTCHKABCHEACHEMEN1
Bromide SCHEMBL25241722 0.79 MEN1 (0.41) HTTCHKAMEN1TP53CYP1A2
Bromide SCHEMBL25241723 0.79 MEN1 (0.41) HTTCHKAMEN1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221799-A1 AGGREGATION-INDUCED EMISSION LUMINOGENS FOR PHOTODYNAMIC THERAPY THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-07-22 US disclosed
US-9682970-B2 Fluorescent compounds and uses thereof BIOTIUM, INC. (US) 2017-06-20 US disclosed
US-9682970-B2 Fluorescent compounds and uses thereof BIOTIUM, INC. (US) 2017-06-20 US disclosed
US-20160024067-A1 FLUORESCENT COMPOUNDS AND USES THEREOF BIOTIUM, INC. 2016-01-28 US disclosed
US-20160024067-A1 FLUORESCENT COMPOUNDS AND USES THEREOF BIOTIUM, INC. 2016-01-28 US disclosed
US-8357350-B2 Annulus fibrosus detection in intervertebral discs using molecular imaging agents GENERAL ELECTRIC COMPANY (US) 2013-01-22 US disclosed
US-8129532-B2 Amino(oligo)thiophene dyes, preparation thereof, and optical methods of use THE UNIVERSITY OF CONNECTICUT (US) 2012-03-06 US disclosed
US-20100202965-A1 ANNULUS FIBROSUS DETECTION IN INTERVERTEBRAL DISCS USING MOLECULAR IMAGING AGENTS GENERAL ELECTRIC COMPANY (US) 2010-08-12 US disclosed
US-20090042227-A1 AMINO(OLIGO)THIOPHENE DYES, PREPARATION THEREOF, AND OPTICAL METHODS OF USE NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-02-12 US disclosed
US-20090042227-A1 AMINO(OLIGO)THIOPHENE DYES, PREPARATION THEREOF, AND OPTICAL METHODS OF USE NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-02-12 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 (4 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-20210221799-A1 AGGREGATION-INDUCED EMISSION LUMINOGENS FOR PHOTODYNAMIC THERAPY PPOX, APC, ANXA4 HTT 98/4885CHKA 4357/4885BCHE 4730/4885
US-20090042227-A1 AMINO(OLIGO)THIOPHENE DYES, PREPARATION THEREOF, AND OPTICAL METHODS OF USE NLN, NME4, OAT HTT 1658/4885CHKA 4164/4885BCHE 2103/4885
US-20160024067-A1 FLUORESCENT COMPOUNDS AND USES THEREOF POLI, POLL, POLRMT HTT 218/4885CHKA 2797/4885BCHE 3870/4885
US-20100202965-A1 ANNULUS FIBROSUS DETECTION IN INTERVERTEBRAL DISCS USING MOLECULAR IMAGING AGENTS BMP1, TMEM14C, NPPA HTT 2780/4885CHKA 4508/4885BCHE 4815/4885

“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.