SCHEMBL4242163

SCHEMBL4242163

CCc1nc2c[n+]([O-])c3cc(OCC(=O)N4CCOCC4)ccc3c2n1CCOc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 7/20 0.46
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 3/20 0.42
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
NPC1 O15118 2/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
ACHE P22303 1/20 0.40
USP2 O75604 1/20 0.40
SIRT3 Q9NTG7 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
SCHEMBL4247043 0.87 FKBP1A (0.46) FKBP1AALDH1A1L3MBTL1HPGDSMN1; SMN2
SCHEMBL4235655 0.86 FKBP1A (0.47) FKBP1AALDH1A1HPGDCYP2C9SMN1; SMN2
SCHEMBL4244507 0.84 PSEN1 (0.39) HPGDSMN1; SMN2TP53MAPT
SCHEMBL4240976 0.81 TLR7 (0.48) FKBP1AALDH1A1SMN1; SMN2POLB
SCHEMBL4244613 0.74 CNR2 (0.39)
SCHEMBL4244623 0.74 CNR2 (0.39)
SCHEMBL5087224 0.73 L3MBTL1 (0.47) FKBP1AALDH1A1L3MBTL1HPGDSMN1; SMN2
SCHEMBL1960376 0.73 SMN1; SMN2 (0.44) ALDH1A1HPGDSMN1; SMN2POLBTP53
SCHEMBL4237435 0.71 FKBP1A (0.48) FKBP1AALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL3871450 0.71 RAB9A (0.39) ALDH1A1CYP2C9SMN1; SMN2TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856254-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-01-02 US disclosed
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2016-09-29 US disclosed
US-9365567-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-06-14 US disclosed
EP-1673087-B1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2015-05-13 EP disclosed
US-20150023990-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2015-01-22 US disclosed
US-8871782-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-10-28 US disclosed
EP-1673087-A4 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-04-08 EP disclosed
US-20070060754-A1 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-15 US disclosed
EP-1673087-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-06-28 EP disclosed
WO-2005032484-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-14 WO 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-20150023990-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 FKBP1A 1678/4885ALDH1A1 918/4885L3MBTL1 2127/4885
US-20070060754-A1 Alkoxy substituted imidazoquinolines IL2, IFNG, IRF3 FKBP1A 1678/4885ALDH1A1 918/4885L3MBTL1 2127/4885
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 FKBP1A 1678/4885ALDH1A1 918/4885L3MBTL1 2127/4885

“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.