SCHEMBL3293389

SCHEMBL3293389

COc1ccc(CNc2nc(Nc3ccc(OC)cc3OC)nc(NC3CCCCC3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
GAA P10253 2/20 0.52
CTSL P07711 1/20 0.51
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
GBA1 P04062 1/20 0.51
LMNA P02545 3/20 0.49
GALR2 O43603 3/20 0.49
GALR1 P47211 3/20 0.49
MAPT P10636 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TSHR P16473 1/20 0.48
CREBBP Q92793 1/20 0.48
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL3285705 0.91 GBA1 (0.54) SMN1; SMN2CTSLCTSSCTSKGBA1
SCHEMBL3287378 0.88 CTSS (0.56) SMN1; SMN2HPGDCTSLCTSSCTSK
SCHEMBL13325957 0.86 CTSS (0.54) SMN1; SMN2HPGDCTSLCTSSCTSK
SCHEMBL13359695 0.86 APP (0.57) SMN1; SMN2HPGDGAACTSLCTSS
SCHEMBL3289389 0.85 CTSL (0.68) SMN1; SMN2CTSLCTSSCTSKGALR2
SCHEMBL3287809 0.85 CTSL (0.54) SMN1; SMN2CTSLCTSSCTSKGALR2
SCHEMBL3290340 0.85 CTSL (0.57) SMN1; SMN2HPGDGAACTSLCTSS
SCHEMBL13326004 0.84 GAA (0.74) SMN1; SMN2GAACTSLCTSSCTSK
SCHEMBL3291713 0.84 GALR2 (0.67) CTSLCTSSCTSKGBA1GALR2
SCHEMBL13325984 0.84 CTSS (0.49) SMN1; SMN2HPGDGAACTSLCTSS

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 4 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
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

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 SMN1; SMN2 4365/4885HPGD 2963/4885GAA 1693/4885

“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.