SCHEMBL50465

SCHEMBL50465

O=Cc1ccc(-c2ccc(N3CCCC3)s2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
PSMD14 O00487 1/20 0.44
KMT2A Q03164 1/20 0.44
APP P05067 1/20 0.43
PRF1 P14222 1/20 0.42
AR P10275 2/20 0.40
TRIM24 O15164 1/20 0.39

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
SCHEMBL8702014 0.89 ALDH1A1 (0.49) DPP4CHRM2CHRM4CHRM5CHRM1
SCHEMBL1260268 0.87 ALDH1A1 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL32676141 0.87 ALDH1A1 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL32676230 0.85 ALDH1A1 (0.44) DPP4CHRM2CHRM4CHRM5CHRM1
SCHEMBL278904 0.78 DPP4 (0.65) DPP4CHRM2CHRM4CHRM5CHRM1
SCHEMBL607254 0.76 DPP4 (0.69) DPP4CHRM2CHRM4CHRM5CHRM1
SCHEMBL31178703 0.74 CA2 (0.36) DPP4CHRM2CHRM4CHRM5CHRM1
SCHEMBL31178503 0.74 CHRM2 (0.36) DPP4CHRM2CHRM4CHRM5CHRM1
SCHEMBL1555679 0.73 TDP1 (0.51) DPP4CHRM2CHRM4CHRM5CHRM1
SCHEMBL1432603 0.73 AOC3 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3

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-20220214351-A1 FLUORESCENT DYE, PREPARATION METHOD AND USES THEREOF FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY LTD. (CN) 2022-07-07 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-8129532-B2 Amino(oligo)thiophene dyes, preparation thereof, and optical methods of use THE UNIVERSITY OF CONNECTICUT (US) 2012-03-06 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-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
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 (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-20090042227-A1 AMINO(OLIGO)THIOPHENE DYES, PREPARATION THEREOF, AND OPTICAL METHODS OF USE NLN, NME4, OAT DPP4 635/4885CHRM2 2565/4885CHRM4 780/4885

“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.