SCHEMBL1486571

SCHEMBL1486571

Nc1cnc2cc(OCc3ccccc3)ccc2c1NCCCCNC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.43
NMT1 P30419 3/20 0.43
GSR P00390 3/20 0.42
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KDR P35968 1/20 0.40
KMT2A Q03164 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
LTA4H P09960 1/20 0.40
PLA2G2A P14555 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39

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
SCHEMBL3869604 0.92 NMT1 (0.49) NMT1GSRMAPTTP53SMN1; SMN2
SCHEMBL4069092 0.88 HDAC1 (0.43) BRD4NMT1GSRMAPTHDAC1
SCHEMBL4066480 0.87 NPC1 (0.41) NMT1MAPTTP53SMN1; SMN2MEN1
SCHEMBL1233009 0.86 HDAC1 (0.43) BRD4NMT1GSRHDAC1
SCHEMBL4067389 0.85 CYP3A4 (0.40) NMT1MAPTSMN1; SMN2MEN1KDR
SCHEMBL1486461 0.85 MEN1 (0.42) BRD4GSRMAPTMEN1KMT2A
SCHEMBL1486464 0.85 MEN1 (0.42) BRD4GSRMAPTMEN1KMT2A
SCHEMBL4070566 0.84 EGFR (0.41) NMT1GSRMAPTSMN1; SMN2MEN1
SCHEMBL1486577 0.84 F2 (0.47) MAPTTP53SMN1; SMN2MEN1KDR
SCHEMBL27661082 0.84 NMT1 (0.41) NMT1MAPTTP53SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658076-B1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2013-03-06 EP disclosed
US-7897597-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
EP-1658076-A4 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-02-25 EP disclosed
US-20090018122-A1 Aryloxy and Arylalkyleneoxy Substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2009-01-15 US disclosed
EP-1658076-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-05-24 EP disclosed
WO-2005020999-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-10 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-20090018122-A1 Aryloxy and Arylalkyleneoxy Substituted Imidazoquinolines IL2, IFNG, IRF3 BRD4 244/4885NMT1 3893/4885GSR 2088/4885

“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.