SCHEMBL5355853

SCHEMBL5355853

CCCCc1nc2c[n+]([O-])c3ccccc3c2n1CCCNC(=O)NC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 12/20 0.43
EPHX2 P34913 3/20 0.42
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL1951282 0.84 GAA (0.47) GAAHTTTP53SMN1; SMN2LMNA
SCHEMBL1951281 0.84 GAA (0.47) GAAHTTTP53SMN1; SMN2LMNA
SCHEMBL5351916 0.84 EPHX1 (0.45) EPHX1EPHX2AGTR1AGTR2GAA
SCHEMBL5362469 0.84 EPHX1 (0.46) EPHX1GAAHTTTP53SMN1; SMN2
SCHEMBL5364616 0.80 TLR7 (0.48) GAAHTTTP53SMN1; SMN2LMNA
SCHEMBL5362385 0.79 TLR7 (0.64)
SCHEMBL3971953 0.79 TLR7 (0.47) GAAHTTTP53SMN1; SMN2LMNA
SCHEMBL4165388 0.79 CNR1 (0.43) AGTR1AGTR2GAAHTTTP53
SCHEMBL5351957 0.78 EPHX1 (0.51) EPHX1GAAHTTTP53SMN1; SMN2
SCHEMBL25962881 0.77 TLR7 (0.49) GAAHTTTP53SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157453-B2 Urea substituted imidazoquinolines 3M INNOVATION PROPERTIES COMPANY (US) 2007-01-02 US disclosed
US-20050131009-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-06-16 US disclosed
US-6897221-B2 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-05-24 US disclosed
US-6784188-B2 ADMINISTERING TO A MAMMAL 1H-IMIDAZO(4,5-C)QUINOLINE RING CONTAINING COMPOUND FOR THE TREATMENT OF DISEASES, INCLUDING VIRAL AND NEOPLSATIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-08-31 US disclosed
US-20040167154-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-08-26 US disclosed
US-20040019048-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-29 US disclosed
US-6573273-B1 Imidazoquinoline and tetrahydroimidazoquinoline compounds that contain urea, thiourea, acylurea, or sulfonylurea functionality at the 1-position are useful as immune response modifiers. The compounds and compositions of the invention can 3M INNOVATIVE PROPERTIES COMPANY 2003-06-03 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 (3 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-20040167154-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 EPHX1 1608/4885EPHX2 3356/4885AGTR1 1816/4885
US-20040019048-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 EPHX1 1608/4885EPHX2 3356/4885AGTR1 1816/4885
US-20050131009-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 EPHX1 1608/4885EPHX2 3356/4885AGTR1 1816/4885

“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.