SCHEMBL311213

SCHEMBL311213

O=[N+]([O-])c1cnc2cc(OCc3ccccc3)ccc2c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
BACE1 P56817 1/20 0.47
PIN1 Q13526 2/20 0.47
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
XBP1 P17861 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CTSV O60911 2/20 0.45
CTSL P07711 2/20 0.45
MAOB P27338 3/20 0.44
CYP3A4 P08684 1/20 0.43
AR P10275 1/20 0.43
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 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
SCHEMBL1486647 0.91 BACE1 (0.50) MEN1KMT2ANPC1RAB9AATM
SCHEMBL203766 0.86 PIN1 (0.53) MEN1KMT2ANPC1RAB9AATM
SCHEMBL27677440 0.86 MEN1 (0.48) MEN1KMT2ANPC1RAB9AATM
SCHEMBL5795231 0.82 MAPT (0.46) MEN1KMT2ANPC1RAB9AATM
SCHEMBL311966 0.82 MEN1 (0.43) MEN1KMT2ANPC1RAB9AATM
SCHEMBL5795226 0.82 MEN1 (0.43) MEN1KMT2ANPC1RAB9AATM
SCHEMBL5795238 0.82 MEN1 (0.43) MEN1KMT2ANPC1RAB9AATM
SCHEMBL3865097 0.81 EGFR (0.41) MEN1KMT2APIN1MAPTLMNA
SCHEMBL1486746 0.80 NPC1 (0.46) MEN1KMT2ANPC1RAB9AATM
SCHEMBL5767008 0.80 PIM1 (0.45) KMT2ANPC1PIN1MAPTMAPK1

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057509-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2018-03-01 US disclosed
US-9856254-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-01-02 US disclosed
US-20170088559-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2017-03-30 US disclosed
US-9546184-B2 Alkyloxy substituted thiazoloquinolines and thiazolonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-01-17 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
US-20150266901-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2015-09-24 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
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 (8 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-20150266901-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES IL2, IFNG, TSLP MEN1 3024/4885KMT2A 3303/4885NPC1 2273/4885
US-20150023990-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 MEN1 3720/4885KMT2A 2789/4885NPC1 2931/4885
US-20170088559-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES IL2, IFNG, TSLP MEN1 3024/4885KMT2A 3303/4885NPC1 2273/4885
US-20040258698-A1 Delivery of immune response modifier compounds MIF, IRF3, CLEC4M MEN1 3739/4885KMT2A 3591/4885NPC1 3551/4885
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 MEN1 3720/4885KMT2A 2789/4885NPC1 2931/4885
US-20180057509-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES IL2, IFNG, TSLP MEN1 3024/4885KMT2A 3303/4885NPC1 2273/4885
US-20040176367-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 MEN1 2757/4885KMT2A 2385/4885NPC1 2668/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 MEN1 2757/4885KMT2A 2385/4885NPC1 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.