SCHEMBL3287378

SCHEMBL3287378

COc1ccc(CNc2nc(NCc3ccc(OC)cc3)nc(NC3CCCCC3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.56
CTSK P43235 2/20 0.56
CTSL P07711 1/20 0.56
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GALR2 O43603 3/20 0.51
GALR1 P47211 3/20 0.51
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL13325957 0.99 CTSS (0.54) CTSSCTSKCTSLALDH1A1SMN1; SMN2
SCHEMBL13326070 0.94 PDE4A (0.53) CTSSCTSKCTSLALDH1A1SMN1; SMN2
SCHEMBL3289275 0.93 CTSS (0.56) CTSSCTSKCTSLALDH1A1SMN1; SMN2
SCHEMBL3289389 0.93 CTSL (0.68) CTSSCTSKCTSLALDH1A1SMN1; SMN2
SCHEMBL13359695 0.91 APP (0.57) CTSSCTSKCTSLALDH1A1SMN1; SMN2
SCHEMBL3289094 0.91 ALDH1A1 (0.53) CTSSCTSKCTSLALDH1A1SMN1; SMN2
SCHEMBL3287006 0.89 CTSL (0.61) CTSSCTSKCTSLALDH1A1SMN1; SMN2
SCHEMBL13325984 0.89 CTSS (0.49) CTSSCTSKCTSLALDH1A1SMN1; SMN2
SCHEMBL3293389 0.88 SMN1; SMN2 (0.53) CTSSCTSKCTSLALDH1A1SMN1; SMN2
SCHEMBL3291713 0.87 GALR2 (0.67) CTSSCTSKCTSLALDH1A1GALR2

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

“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.