SCHEMBL6324065

SCHEMBL6324065

N#Cc1ccc2cc3ccccc3c(C#N)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 5/20 0.46
ENPP3 O14638 1/20 0.40
CYP1B1 Q16678 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP1A1 P04798 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 1/20 0.39
ITK Q08881 1/20 0.38
LMNA P02545 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
SCHEMBL30462444 0.86 CA1 (0.54) CA1CA2ALDH1A1KDM4EENPP3
SCHEMBL32211 0.86 ALDH1A1 (0.58) CA1CA2ALDH1A1KDM4ECYP1B1
SCHEMBL29391266 0.86 ALDH1A1 (0.58) CA1CA2ALDH1A1KDM4ECYP1B1
SCHEMBL5211903 0.82 ALDH1A1 (0.50) CA1CA2ALDH1A1KDM4ECYP1B1
SCHEMBL642740 0.80 CA1 (0.48) CA1CA2ALDH1A1KDM4EMAPT
SCHEMBL1343465 0.80 CA1 (0.69) CA1CA2ALDH1A1KDM4ECYP1B1
SCHEMBL5746374 0.80 MDM4 (0.51) CA1CA2ALDH1A1KDM4ECYP1B1
SCHEMBL5747405 0.80 CA1 (0.54) CA1CA2ALDH1A1KDM4EENPP3
SCHEMBL12679885 0.80 ALDH1A1 (0.50) CA1CA2ALDH1A1KDM4ECYP1B1
SCHEMBL1344052 0.79 CA1 (0.67) CA1CA2ALDH1A1KDM4EENPP3

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-20050258743-A1 Aminostyrylanthracene compound, synthetic intermediate thereof, and process for production thereof SONY CORPORATION (JP) 2005-11-24 US disclosed
US-6906217-B2 Aminostyrylanthracene compound, synthetic intermediate thereof, and process for production thereof SONY CORPORATION (JP) 2005-06-14 US disclosed
US-6790975-B2 ORGANIC ELECTROLUMINESCENCE; CONDENSATION FROM A CORRESPONDING AMINOBENZALDEHYDE AND A PHOSPHONIC ESTER OR PHOSPHONIUM SALT; YELLOW TO RED LIGHT SONY CORPORATION (JP) 2004-09-14 US disclosed
US-20030208089-A1 Aminostyrylanthrancene compound, synthetic intermediate thereof, and process for production thereof JOLED INC. (JP) 2003-11-06 US disclosed
US-20030149290-A1 AMINOSTYRYLANTHRACENE COMPOUND, SYNTHETIC INTERMEDIATE THEREOF, AND PROCESS FOR PRODUCTION THEREOF JOLED INC. (JP) 2003-08-07 US disclosed
EP-1191015-A1 AMINOSTYRYLANTHRACENE COMPOUNDS, INTERMEDIATES FOR THE PREPARATION THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH Sony Corporation (JP) 2002-03-27 EP 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 (3 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-20050258743-A1 Aminostyrylanthracene compound, synthetic intermediate thereof, and process for production thereof AASDHPPT, AADAT, ALDH7A1 CA1 1102/4885CA2 907/4885ALDH1A1 1220/4885
US-20030149290-A1 AMINOSTYRYLANTHRACENE COMPOUND, SYNTHETIC INTERMEDIATE THEREOF, AND PROCESS FOR PRODUCTION THEREOF AASDHPPT, AADAT, ALDH7A1 CA1 1076/4885CA2 1158/4885ALDH1A1 847/4885
US-20030208089-A1 Aminostyrylanthrancene compound, synthetic intermediate thereof, and process for production thereof AASDHPPT, ALDH7A1, AGPAT5 CA1 1251/4885CA2 1169/4885ALDH1A1 1057/4885

“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.