SCHEMBL5362469

SCHEMBL5362469

CCCCc1nc2c[n+]([O-])c3ccccc3c2n1CCCNC(=O)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PPARG P37231 2/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
TLR7 Q9NYK1 6/20 0.43
GHSR Q92847 1/20 0.43
FAAH O00519 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5351957 0.94 EPHX1 (0.51) EPHX1HTTALDH1A1PPARGGAA
SCHEMBL5350555 0.93 EPHX1 (0.46) EPHX1HTTALDH1A1PPARGGAA
SCHEMBL1951281 0.90 GAA (0.47) HTTGAALMNATP53TLR7
SCHEMBL1951282 0.90 GAA (0.47) HTTGAALMNATP53TLR7
SCHEMBL5355853 0.84 EPHX1 (0.43) EPHX1HTTPPARGGAALMNA
SCHEMBL5364616 0.83 TLR7 (0.48) HTTGAALMNATP53TLR7
SCHEMBL5352979 0.83 EPHX1 (0.48) EPHX1HTTALDH1A1GAALMNA
SCHEMBL3971953 0.82 TLR7 (0.47) HTTALDH1A1GAALMNATP53
SCHEMBL4165388 0.82 CNR1 (0.43) HTTALDH1A1GAALMNATP53
SCHEMBL3970481 0.82 ALDH1A1 (0.41) HTTALDH1A1PPARGGAALMNA

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 1608/4885HTT 2375/4885ALDH1A1 1336/4885
US-20040019048-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 EPHX1 1608/4885HTT 2375/4885ALDH1A1 1336/4885
US-20050131009-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 EPHX1 1608/4885HTT 2375/4885ALDH1A1 1336/4885

“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.