SCHEMBL1959338

SCHEMBL1959338

CC(C)CNc1c(N)c2nnnn2c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AS3MT Q9HBK9 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
HRH3 Q9Y5N1 2/20 0.37
BRD4 O60885 1/20 0.36
MAOB P27338 1/20 0.36
ROCK1 Q13464 1/20 0.35
TP53 P04637 1/20 0.35
SRC P12931 2/20 0.35
ABL1 P00519 1/20 0.35
BCHE P06276 1/20 0.34

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 0.85 CTSV (0.37) AS3MTALDH1A1MEN1NPC1RAB9A
SCHEMBL1486522 0.72 NMT1 (0.46) ALDH1A1LMNASMN1; SMN2
SCHEMBL1962121 0.71 CTSV (0.42) LMNASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL1486517 0.70 MAPT (0.41) SMN1; SMN2MEN1RAB9AKMT2AHRH3
SCHEMBL1960990 0.69 TLR7 (0.42) AS3MTSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL1962901 0.68 MAOB (0.43) AS3MTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL5618434 0.68 MAPT (0.41) SMN1; SMN2MEN1RAB9AKMT2AHRH3
Hydrochloric Acid SCHEMBL9893513 0.67 MAOB (0.46) SMN1; SMN2MEN1RAB9AKMT2AHRH3
SCHEMBL1486737 0.64 NMT1 (0.44) ALDH1A1LMNAMEN1NPC1RAB9A
SCHEMBL1566109 0.64 BCHE (0.54) ALDH1A1MEN1RAB9AKMT2AMAOB

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 AS3MT 1721/4885ALDH1A1 772/4885LMNA 4361/4885

“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.