SCHEMBL3861986

SCHEMBL3861986

[CH2]C(C)(O)Cc1cccc(C(=O)N2CCOCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
TP53 P04637 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
PARP1 P09874 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 2/20 0.49
RECQL P46063 1/20 0.49
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47

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
SCHEMBL10223965 0.88 RAB9A (0.60) RAB9ANPC1TP53SMN1; SMN2NPSR1
SCHEMBL10272898 0.82 RAB9A (0.65) RAB9ANPC1TP53SMN1; SMN2NPSR1
SCHEMBL7901271 0.81 RAB9A (0.67) RAB9ANPC1TP53SMN1; SMN2NPSR1
SCHEMBL19954243 0.80 RAB9A (0.60) RAB9ANPC1TP53SMN1; SMN2NPSR1
SCHEMBL19070392 0.80 ALDH1A1 (0.62) RAB9ANPC1TP53SMN1; SMN2NPSR1
SCHEMBL27561722 0.79 NPC1 (0.61) RAB9ANPC1TP53SMN1; SMN2NPSR1
SCHEMBL9472983 0.79 RAB9A (0.61) RAB9ANPC1TP53SMN1; SMN2NPSR1
SCHEMBL17078828 0.79 ALDH1A1 (0.61) RAB9ANPC1TP53SMN1; SMN2NPSR1
SCHEMBL18901286 0.79 ALDH1A1 (0.61) RAB9ANPC1TP53SMN1; SMN2NPSR1
SCHEMBL3863696 0.79 RAB9A (0.58) RAB9ANPC1TP53SMN1; SMN2NPSR1

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-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-7091214-B2 Aryl substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2006-08-15 US disclosed
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2006-05-25 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-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 RAB9A 2531/4885NPC1 2335/4885TP53 64/4885

“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.