SCHEMBL3287494

SCHEMBL3287494

COc1ccc(CNc2nc(NCc3ccc(OC)cc3)nc(OC3CCCCC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
APP P05067 1/20 0.44
PDE2A O00408 1/20 0.44
PDE9A O76083 1/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL3287378 0.81 CTSS (0.56) TDP1SMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL2144250 0.80 CLK4 (0.46) TDP1SMN1; SMN2ALDH1A1TSHRPDE4A
SCHEMBL13325957 0.80 CTSS (0.54) TDP1SMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL3289094 0.78 ALDH1A1 (0.53) TDP1SMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL3285731 0.78 SMN1; SMN2 (0.50) TDP1SMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL3287056 0.77 TDP1 (0.49) TDP1SMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL13326070 0.76 PDE4A (0.53) TDP1SMN1; SMN2ALDH1A1PDE4ANPC1
SCHEMBL3289389 0.75 CTSL (0.68) TDP1SMN1; SMN2ALDH1A1L3MBTL1RAB9A
SCHEMBL3289275 0.75 CTSS (0.56) TDP1SMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL13325954 0.74 APP (0.67) SMN1; SMN2L3MBTL1APPMAPTTP53

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-7718655-B2 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity NEW YORK UNIVERSITY (US) 2010-05-18 US disclosed
US-7718655-B2 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity NEW YORK UNIVERSITY (US) 2010-05-18 US disclosed
US-7718655-B2 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity NEW YORK UNIVERSITY (US) 2010-05-18 US disclosed
EP-1441683-A4 TRISUBSTITUTED TRIAZINE COMPOUNDS, AND METHODS FOR MAKING AN USING THE COMPOUNDS, WHICH HAVE ANTITUBULIN ACTIVITY UNIV NEW YORK (US) 2005-10-26 EP disclosed
EP-1441683-A2 TRISUBSTITUTED TRIAZINE COMPOUNDS, AND METHODS FOR MAKING AN USING THE COMPOUNDS, WHICH HAVE ANTITUBULIN ACTIVITY NEW YORK UNIVERSITY (US) 2004-08-04 EP disclosed
US-20040122009-A1 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity NEW YORK UNIVERSITY (US) 2004-06-24 US disclosed
WO-2003032903-A2 TRISUBSTITUTED TRIAZINES COMPOUNDS WITH ANTITUBULIN ACTIVITY NEW YORK UNIVERSITY (US) 2003-04-24 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 (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-20040122009-A1 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity TUBA1C, TUBB1, TUBB TDP1 718/4885SMN1; SMN2 4365/4885ALDH1A1 3453/4885

“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.