SCHEMBL3287809

SCHEMBL3287809

COc1ccc(CNc2nc(Nc3cc(OC)c(OC)c(OC)c3)nc(NC3CCCCC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.54
CTSS P25774 2/20 0.54
CTSK P43235 2/20 0.54
GALR2 O43603 3/20 0.48
GALR1 P47211 3/20 0.48
FLT3 P36888 1/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46

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
SCHEMBL3290340 0.90 CTSL (0.57) CTSLCTSSCTSKGALR2GALR1
SCHEMBL3289389 0.88 CTSL (0.68) CTSLCTSSCTSKGALR2GALR1
SCHEMBL3287378 0.86 CTSS (0.56) CTSLCTSSCTSKGALR2GALR1
SCHEMBL3293389 0.85 SMN1; SMN2 (0.53) CTSLCTSSCTSKGALR2GALR1
SCHEMBL3287006 0.85 CTSL (0.61) CTSLCTSSCTSKGALR2GALR1
SCHEMBL3291713 0.84 GALR2 (0.67) CTSLCTSSCTSKGALR2GALR1
SCHEMBL13325957 0.84 CTSS (0.54) CTSLCTSSCTSKGALR2GALR1
SCHEMBL13359695 0.84 APP (0.57) CTSLCTSSCTSKGALR2GALR1
SCHEMBL3292652 0.83 ALDH1A1 (0.64) CTSSCTSKFLT3TUBB4ATUBB
SCHEMBL3285705 0.82 GBA1 (0.54) CTSLCTSSCTSKGALR2GALR1

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 CTSL 1884/4885CTSS 1901/4885CTSK 2723/4885

“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.