SCHEMBL2425836

SCHEMBL2425836

c1ccc(C[N]Nc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
TRPA1 O75762 1/20 0.41
CYP3A4 P08684 1/20 0.41
MIF P14174 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
IDO1 P14902 2/20 0.40
NOX1 Q9Y5S8 1/20 0.40
DEPTOR Q8TB45 1/20 0.39
GRIN1 Q05586 3/20 0.38
GRIN2B Q13224 3/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 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
SCHEMBL10643531 0.86 MAPT (0.49) TSHRHPGDIDO1NOX1DEPTOR
SCHEMBL2777926 0.77 TDP1 (0.48) TDP1ALDH1A1TSHRCYP1A1CYP1B1
SCHEMBL9484655 0.73 CYP3A4 (0.46) ALDH1A1TRPA1CYP3A4MIFHPGD
SCHEMBL2234039 0.73 TDP1 (0.43) TDP1ALDH1A1TSHRCYP1A1CYP1B1
SCHEMBL1616038 0.71 GRIN2D (0.47) TDP1ALDH1A1TRPA1CYP3A4MIF
SCHEMBL1653 0.70 ALDH1A1 (0.55) TDP1ALDH1A1TSHRTRPA1CYP3A4
SCHEMBL9095120 0.68 NPC1 (0.50) ALDH1A1TSHRCYP3A4L3MBTL1IDO1
SCHEMBL19611522 0.68 ALDH1A1 (0.52) ALDH1A1TSHRTRPA1CYP3A4MIF
Hydrogen Sulfide SCHEMBL5079696 0.68 ALDH1A1 (0.52) TDP1ALDH1A1TSHRTRPA1CYP3A4
SCHEMBL17178869 0.68 ALDH1A1 (0.52) ALDH1A1TSHRTRPA1CYP3A4MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324190-B2 Treatment of proliferative disorders with amino-substituted (E)-2,6- dialkoxystyryl 4-substituted benzylsulfones Temple University—Of the Commonwealth System of Higher Education (US) 2012-12-04 US disclosed
EP-1487428-B1 AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2011-09-21 EP disclosed
US-20090281066-A1 Treatment of proliferative disorders with amino-substituted (E)-2,6- dialkoxystyryl 4-substituted benzylsulfones TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-12 US disclosed
US-7598232-B2 Amino-substituted (E)-2,6-dialkoxystyryl 4-substituted-benzylsulfones for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-10-06 US disclosed
EP-1487428-A4 AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2006-04-19 EP disclosed
US-20050130942-A1 Amino-substituted (e)-2,6-dialkoxystyryl 4-substituted-benzylsulfones for treating proliferative disorders TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-06-16 US disclosed
EP-1487428-A2 AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2004-12-22 EP disclosed
WO-2003072062-A2 AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2003-09-04 WO 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-20090281066-A1 Treatment of proliferative disorders with amino-substituted (E)-2,6- dialkoxystyryl 4-substituted benzylsulfones CCNY, CCND2, ETV6 TDP1 929/4885ALDH1A1 1156/4885TSHR 831/4885
US-20050130942-A1 Amino-substituted (e)-2,6-dialkoxystyryl 4-substituted-benzylsulfones for treating proliferative disorders CCNY, CCND2, CCNB1 TDP1 993/4885ALDH1A1 2155/4885TSHR 1512/4885

“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.