Sugi Predict

Sugi Predict / Compounds / SCHEMBL53656

SCHEMBL53656

SCHEMBL53656

CC[N+](CC)(CC)CCC[n+]1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.57
▸ CHRM2 P08172 2/20 0.51
▸ CHRM4 P08173 2/20 0.51
▸ CHRM5 P08912 2/20 0.51
▸ CHRM1 P11229 2/20 0.51
▸ CHRM3 P20309 2/20 0.51
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GLA P06280 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
Bromide SCHEMBL50687 0.98 HTT (0.55) HTTCHRM2CHRM4CHRM5CHRM1
SCHEMBL53095 0.86 HTT (0.66) HTTCHRM2CHRM4CHRM5CHRM1
Bromide SCHEMBL50888 0.85 HTT (0.63) HTTCHRM2CHRM4CHRM5CHRM1
SCHEMBL53084 0.79 HTT (0.55) HTTMEN1MAPTKMT2ATP53
Bromide SCHEMBL50527 0.78 CHRM2 (0.50) HTTCHRM2CHRM4CHRM5CHRM1
SCHEMBL12533280 0.78 HTT (0.77) HTTMEN1MAPTKMT2ATP53
SCHEMBL18234751 0.78 HTT (0.70) HTTMEN1MAPTKMT2ATP53
Bromide SCHEMBL50943 0.78 HTT (0.53) HTTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL294354 0.76 HTT (0.83) HTTCHRM2CHRM4CHRM5CHRM1
SCHEMBL20253089 0.76 KCNH2 (0.45) HTTCHRM2CHRM4CHRM5CHRM1

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-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 (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-20090042227-A1 AMINO(OLIGO)THIOPHENE DYES, PREPARATION THEREOF, AND OPTICAL METHODS OF USE NLN, NME4, OAT HTT 1658/4885CHRM2 2565/4885CHRM4 780/4885
US-20100202965-A1 ANNULUS FIBROSUS DETECTION IN INTERVERTEBRAL DISCS USING MOLECULAR IMAGING AGENTS BMP1, TMEM14C, NPPA HTT 2780/4885CHRM2 4752/4885CHRM4 4818/4885

“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.