SCHEMBL1305249

SCHEMBL1305249

COc1ccc(-c2nnc(O)nc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 3/20 0.51
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTGES O14684 3/20 0.50
HPGD P15428 2/20 0.49
ESR2 Q92731 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NOX1 Q9Y5S8 1/20 0.46
ADORA1 P30542 1/20 0.46
TP53 P04637 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL11872551 0.89 MAPT (0.54) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL1306494 0.80 MAPT (0.66) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL21852751 0.80 ALDH1A1 (0.67) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL11237449 0.79 ALDH1A1 (0.53) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL1305539 0.79 ALDH1A1 (0.56) ALDH1A1KDM4ELMNANPSR1TDP1
Anitrazafen SCHEMBL43419 0.79 ALDH1A1 (0.53) ALDH1A1KDM4ELMNANPSR1TDP1
Anitrazafen SCHEMBL30901204 0.79 ALDH1A1 (0.53) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL13108714 0.79 ALDH1A1 (0.56) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL10817240 0.79 ALDH1A1 (0.55) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL1305606 0.78 KDM4E (0.51) ALDH1A1KDM4ELMNANPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053573-B2 Monomer 5, 6-diphenyl-1.2.4-traizinic derivatives and the use thereof PIERRE FABRE DERMO-COSMETIQUE (FR) 2011-11-08 US disclosed
US-8053573-B2 Monomer 5, 6-diphenyl-1.2.4-traizinic derivatives and the use thereof PIERRE FABRE DERMO-COSMETIQUE (FR) 2011-11-08 US disclosed
US-8053573-B2 Monomer 5, 6-diphenyl-1.2.4-traizinic derivatives and the use thereof PIERRE FABRE DERMO-COSMETIQUE (FR) 2011-11-08 US disclosed
EP-1751122-B1 MONOMER 5,6-DIPHENYL-1,2,4-TRIAZINIC DERIVATIVES AND THE USE THEREOF FABRE PIERRE DERMO COSMETIQUE (FR) 2010-03-17 EP disclosed
US-20080299055-A1 Monomer 5, 6-Diphenyl-1.2.4-Traizinic Derivatives and the Use Thereof PIERRE FABRE DERMO-COSMETIQUE (FR) 2008-12-04 US disclosed
US-20080299055-A1 Monomer 5, 6-Diphenyl-1.2.4-Traizinic Derivatives and the Use Thereof PIERRE FABRE DERMO-COSMETIQUE (FR) 2008-12-04 US disclosed
US-20080299055-A1 Monomer 5, 6-Diphenyl-1.2.4-Traizinic Derivatives and the Use Thereof PIERRE FABRE DERMO-COSMETIQUE (FR) 2008-12-04 US disclosed
US-4190725-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1980-02-26 US disclosed
US-4021553-A 5,6-Diaryl-1,2,4-triazines as topically-active anti-inflammatory agents ELI LILLY AND COMPANY (US) 1977-05-03 US disclosed
US-4008232-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1977-02-15 US disclosed
US-3989831-A Topically-active anti-inflammatory 3-chloro-5,6-diaryl-1,2,4-triazines ELI LILLY AND COMPANY (US) 1976-11-02 US disclosed
US-3979516-A Anti-inflammatory 3-amino-5,6-diaryl-1,2,4-triazines ELI LILLY AND COMPANY (US) 1976-09-07 US disclosed
US-3948894-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1976-04-06 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-20080299055-A1 Monomer 5, 6-Diphenyl-1.2.4-Traizinic Derivatives and the Use Thereof POT1, TELO2, CLIC1 ALDH1A1 581/4885KDM4E 3517/4885LMNA 526/4885

“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.