Sugi Predict

Sugi Predict / Compounds / SCHEMBL203766

SCHEMBL203766

SCHEMBL203766

O=[N+]([O-])c1cnc2cc(OCc3ccccc3)ccc2c1Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 5/20 0.53
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ CTSV O60911 2/20 0.45
▸ CTSL P07711 2/20 0.45
▸ MAOA P21397 2/20 0.44
▸ MAOB P27338 2/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ AR P10275 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ GRM4 Q14833 1/20 0.42
▸ TLR4 O00206 1/20 0.42
▸ TLR2 O60603 1/20 0.42

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
SCHEMBL1486551 0.91 PIN1 (0.53) PIN1MEN1NPC1RAB9AKMT2A
SCHEMBL311213 0.86 MEN1 (0.48) PIN1MEN1NPC1RAB9AKMT2A
SCHEMBL27677440 0.86 MEN1 (0.48) PIN1MEN1NPC1RAB9AKMT2A
SCHEMBL1775133 0.83 CTSV (0.45) PIN1MEN1NPC1RAB9AKMT2A
SCHEMBL3862476 0.81 PIN1 (0.45) PIN1MEN1KMT2A
SCHEMBL1486746 0.80 NPC1 (0.46) PIN1MEN1NPC1RAB9AKMT2A
SCHEMBL5795231 0.80 MAPT (0.46) PIN1MEN1NPC1RAB9AKMT2A
SCHEMBL25231084 0.80 PIN1 (0.49) PIN1KMT2A
SCHEMBL168494 0.80 PIN1 (0.49) PIN1
SCHEMBL31554570 0.80 PIN1 (0.49) PIN1

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 70 patents — showing the first 20. 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
US-8546383-B2 Chiral fused [1,2]imidazo[4,5-c] ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-10-01 — — US disclosed
EP-1658076-B1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2013-03-06 — — EP disclosed
US-20120232057-A1 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY 2012-09-13 — — US disclosed
US-8263594-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-09-11 — — US disclosed
WO-2005110013-A2 METHODS, COMPOSITIONS, AND PREPARATIONS FOR DELIVERY OF IMMUNE RESPONSE MODIFIERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-11-24 — — WO disclosed
WO-2005066172-A1 PIPERAZINE, [1,4]DIAZEPANE, [1,4]DIAZOCANE, AND [1,5]DIAZOCANE FUSED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 — — WO disclosed
WO-2005048933-A2 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-02 — — WO disclosed
WO-2005032484-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-14 — — WO disclosed
WO-2005020999-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-10 — — WO disclosed
US-20050054640-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-03-10 — — US disclosed
US-20040258698-A1 Delivery of immune response modifier compounds 3M INNOVATIVE PROPERTIES COMPANY 2004-12-23 — — US disclosed
WO-2004091500-A2 DELIVERY OF IMMUNE RESPONSE MODIFIER COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-10-28 — — WO disclosed
WO-2004080398-A2 1-AMINO 1H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-09-23 — — WO disclosed
US-20040176367-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-09 — — 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 (6 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 PIN1 2458/4885MEN1 3720/4885NPC1 2931/4885
US-20040258698-A1 Delivery of immune response modifier compounds MIF, IRF3, CLEC4M PIN1 2161/4885MEN1 3739/4885NPC1 3551/4885
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 PIN1 2458/4885MEN1 3720/4885NPC1 2931/4885
US-20120232057-A1 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS IFNAR1, IFNG, IL4 PIN1 617/4885MEN1 2062/4885NPC1 1558/4885
US-20040176367-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 PIN1 2079/4885MEN1 2757/4885NPC1 2668/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 PIN1 2079/4885MEN1 2757/4885NPC1 2668/4885

“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.