SCHEMBL50628

SCHEMBL50628

CCN(CC)c1ccc(-c2ccc(-c3ccc(C=O)s3)s2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.48
DPP4 P27487 1/20 0.47
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A3 P47895 2/20 0.38
ALDH3A1 P30838 1/20 0.38
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 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
SCHEMBL50855 0.98 APP (0.45) APPDPP4ALDH1A1MAPTCYP2E1
SCHEMBL50725 0.88 ALDH1A1 (0.46) APPDPP4ALDH1A1MAPTCYP2E1
SCHEMBL50464 0.85 APP (0.43) APPDPP4ALDH1A1MAPTCYP2E1
SCHEMBL51182 0.83 APP (0.41) APPDPP4ALDH1A1MAPTCYP2E1
SCHEMBL4317739 0.82 TNFRSF1A (0.39) APPALDH1A1MAPTALDH1A3ALDH3A1
SCHEMBL50496 0.79 DPP4 (0.49) APPDPP4ALDH1A1MAPTCYP2E1
SCHEMBL607254 0.78 DPP4 (0.69) APPDPP4ALDH1A1MAPTCYP2E1
SCHEMBL3364399 0.76 APP (0.55) APPDPP4ALDH1A1MAPTCYP2E1
SCHEMBL3364398 0.75 APP (0.70) APPDPP4ALDH1A1MAPTCYP2E1
SCHEMBL13422457 0.75 ALDH1A1 (0.42) APPALDH1A1MAPTCYP3A4ALDH1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 APP 1243/4885DPP4 635/4885ALDH1A1 4559/4885

“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.