SCHEMBL1962121

SCHEMBL1962121

O=[N+]([O-])c1c(O)c2cc(OCc3ccccc3)ccc2n2nnnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.42
CTSL P07711 2/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOB P27338 3/20 0.40
CNR1 P21554 1/20 0.39
ACHE P22303 1/20 0.39
CNR2 P34972 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
BACE1 P56817 1/20 0.39
SRD5A2 P31213 1/20 0.38
ATM Q13315 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL1960443 0.82 CTSV (0.37) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL6097459 0.79 S100A4 (0.47) MEN1KMT2ALMNAMAPTXBP1
Water SCHEMBL6101423 0.78 S100A4 (0.46) MEN1KMT2ALMNAMAPTXBP1
SCHEMBL1962901 0.75 MAOB (0.43) MEN1KMT2ALMNAMAPTMAPK1
Water SCHEMBL8467556 0.72 MEN1 (0.38) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL1959338 0.71 AS3MT (0.40) MEN1KMT2ALMNASMN1; SMN2MAOB
SCHEMBL4504233 0.70 SLC16A3 (0.50) CTSVCTSLMEN1KMT2ASMN1; SMN2
SCHEMBL11848551 0.70 PKM (0.52) CTSVCTSLTDP1MAOBACHE
SCHEMBL11848560 0.70 PKM (0.52) CTSVCTSLTDP1MAOBACHE
SCHEMBL3354370 0.69 S100A4 (0.42) MEN1KMT2ALMNAMAPTSMN1; 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
EP-1658076-B1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2013-03-06 EP disclosed
US-8263594-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-09-11 US disclosed
US-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2011-06-16 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-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 CTSV 692/4885CTSL 1261/4885MEN1 4631/4885

“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.