SCHEMBL10090746

SCHEMBL10090746

COc1cc(OC)cc(C(=O)Nc2ccc(N3CCCC3)cc2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.79
RAB9A P51151 9/20 0.79
ALDH1A1 P00352 8/20 0.79
NPC1 O15118 7/20 0.79
SMN1; SMN2 Q16637 6/20 0.79
LMNA P02545 4/20 0.79
QSOX1 O00391 1/20 0.79
PKM P14618 1/20 0.79
KMT2A Q03164 12/20 0.78
MCL1 Q07820 3/20 0.78
NR4A1 P22736 1/20 0.78
MAPK1 P28482 1/20 0.78
ALOX15 P16050 3/20 0.75
TSHR P16473 1/20 0.75
USP2 O75604 3/20 0.69
MEN1 O00255 8/20 0.69
HSD17B10 Q99714 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
KDM4E B2RXH2 2/20 0.63
ALOX12 P18054 1/20 0.63

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
SCHEMBL18737213 0.90 RAB9A (0.79) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL18641345 0.88 RAB9A (1.00) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL13856556 0.88 MAPT (1.00) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL8292347 0.86 MAPT (0.97) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL10090719 0.84 MAPT (0.79) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL22495299 0.82 RAB9A (0.90) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4256420 0.81 RAB9A (0.78) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4251117 0.80 MAPT (0.76) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL22495349 0.77 RAB9A (0.81) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL22495277 0.77 RAB9A (0.81) MAPTRAB9AALDH1A1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS UNIV BRIGHAM YOUNG (US) 2016-06-16 US disclosed
US-20130158035-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-06-20 US disclosed
WO-2012027392-A2 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2012-03-01 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 (2 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-20130158035-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF MAPT 4206/4885RAB9A 2160/4885ALDH1A1 855/4885
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF MAPT 4206/4885RAB9A 2160/4885ALDH1A1 855/4885

“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.