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SCHEMBL5113885

SCHEMBL5113885

CCC(=O)Nc1cnc2ccccc2c1NCCOCCNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.43
▸ BCHE P06276 3/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ SLC16A3 O15427 1/20 0.37
▸ LATS1 O95835 1/20 0.36

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
SCHEMBL22347101 0.83 BRD4 (0.41) GBA1BCHEMEN1KMT2APKM
SCHEMBL18179116 0.83 BRD4 (0.41) GBA1BCHEMEN1KMT2AGAA
SCHEMBL1039304 0.83 MEN1 (0.44) GBA1BCHECNR2MEN1KMT2A
SCHEMBL1041725 0.80 BCHE (0.44) GBA1BCHECNR2MEN1KMT2A
SCHEMBL27017065 0.80 GAA (0.60) GBA1BCHECNR2MEN1KMT2A
Hydrochloric Acid SCHEMBL3863841 0.77 BRD4 (0.43) GBA1MEN1KMT2AGAANPC1
SCHEMBL5120354 0.77 CYP3A4 (0.46) GBA1BCHEACHE
SCHEMBL29947639 0.76 TLR7 (0.42) GBA1MEN1KMT2AGAANPC1
SCHEMBL29136619 0.76 TLR7 (0.42) GBA1MEN1KMT2AGAANPC1
SCHEMBL25953716 0.76 LATS1 (0.42) GBA1BCHEMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306252-A1 SULFONAMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-12-11 — — US disclosed
US-7214675-B2 Urea substituted imidazoquinoline ethers 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-08 — — US disclosed
US-7115622-B2 Amido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-10-03 — — US disclosed
US-7078523-B2 Urea substituted imidazoquinoline ethers 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-07-18 — — US disclosed
US-20050215581-A1 Urea substituted imidazoquinoline ethers 3M INNOVATIVE PROPERTIES COMPANY 2005-09-29 — — US disclosed
US-20050148620-A1 Sulfonamido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-07-07 — — US disclosed
US-20050143413-A1 Amido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-06-30 — — US disclosed
US-20040097542-A1 Sulfonamido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-05-20 — — US disclosed
US-20040072859-A1 Urea substituted imidazoquinoline ethers 3M INNOVATIVE PROPERTIES COMPANY 2004-04-15 — — US disclosed
US-20040067975-A1 Amido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-04-08 — — US disclosed
US-6677347-B2 ANTICARCINOGENIC AND ANTITUMOR AGENTS; VIRICIDED, IMMUNOMODULATORS 3M INNOVATIVE PROPERTIES COMPANY 2004-01-13 — — US disclosed
US-6664265-B2 Amido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 — — US disclosed
US-6660735-B2 Inducing cytokine biosynthesis; viral diseases, neoplastic disorders 3M INNOVATIVE PROPERTIES COMPANY 2003-12-09 — — US disclosed
US-20030187016-A1 Amido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-10-02 — — US disclosed
US-20030139441-A1 Sulfonamido ether substituted imidazoquinolines UBS AG, STAMFORD BRANCH 2003-07-24 — — US disclosed
US-20030130518-A1 Urea substituted imidazoquinoline ethers COLEY PHARMACEUTICAL GROUP, INC. 2003-07-10 — — 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 (10 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-20030187016-A1 Amido ether substituted imidazoquinolines IFNG, IRF3, EIF2AK2 GBA1 2508/4885BCHE 4190/4885CNR2 1237/4885
US-20080306252-A1 SULFONAMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES IFNG, IRF3, IL2 GBA1 684/4885BCHE 4547/4885CNR2 975/4885
US-20050148620-A1 Sulfonamido ether substituted imidazoquinolines IFNG, IRF3, IL2 GBA1 684/4885BCHE 4547/4885CNR2 975/4885
US-20040072859-A1 Urea substituted imidazoquinoline ethers IRF3, EIF2AK2, IFNG GBA1 2308/4885BCHE 2953/4885CNR2 2571/4885
US-20050143413-A1 Amido ether substituted imidazoquinolines IFNG, IRF3, EIF2AK2 GBA1 2508/4885BCHE 4190/4885CNR2 1237/4885
US-20050215581-A1 Urea substituted imidazoquinoline ethers IRF3, EIF2AK2, IFNG GBA1 2308/4885BCHE 2953/4885CNR2 2571/4885
US-20040067975-A1 Amido ether substituted imidazoquinolines IFNG, IRF3, EIF2AK2 GBA1 2508/4885BCHE 4190/4885CNR2 1237/4885
US-20030139441-A1 Sulfonamido ether substituted imidazoquinolines IFNG, IRF3, IL2 GBA1 684/4885BCHE 4547/4885CNR2 975/4885
US-20030130518-A1 Urea substituted imidazoquinoline ethers IRF3, EIF2AK2, IFNG GBA1 2308/4885BCHE 2953/4885CNR2 2571/4885
US-20040097542-A1 Sulfonamido ether substituted imidazoquinolines IFNG, IRF3, IL2 GBA1 684/4885BCHE 4547/4885CNR2 975/4885

“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.