SCHEMBL1486465

SCHEMBL1486465

CC(C)(C)OC(=O)NCCCCCCl

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.71
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GAA P10253 1/20 0.57
CA12 O43570 6/20 0.56
CA1 P00915 6/20 0.56
CA2 P00918 6/20 0.56
CA9 Q16790 6/20 0.56
STK17B O94768 1/20 0.48
STK17A Q9UEE5 1/20 0.48
DRD2 P14416 3/20 0.45
EPHX1 P07099 1/20 0.44
CYP3A4 P08684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL28636908 1.00 TDP1 (0.71) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL28630680 1.00 TDP1 (0.71) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL8959096 0.98 TDP1 (0.68) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL904060 0.92 TDP1 (0.65) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL29497312 0.92 TDP1 (0.61) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL3025184 0.90 TDP1 (0.85) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL136815 0.90 TDP1 (0.85) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL134329 0.90 TDP1 (0.85) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL343629 0.90 TDP1 (0.85) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL137629 0.90 TDP1 (0.85) TDP1MAOAMAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108530444-B Novel NAMPT and IDO dual inhibitor and preparation method and medical application thereof 药康众拓(江苏)医药科技有限公司 2021-08-24 CN disclosed
EP-1658076-B1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2013-03-06 EP disclosed
US-8263594-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-09-11 US disclosed
US-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2011-06-16 US disclosed
US-7897597-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
EP-1658076-A4 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-02-25 EP disclosed
US-20090018122-A1 Aryloxy and Arylalkyleneoxy Substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2009-01-15 US disclosed
EP-1658076-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-05-24 EP disclosed
WO-2005020999-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-10 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 (2 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-20090018122-A1 Aryloxy and Arylalkyleneoxy Substituted Imidazoquinolines IL2, IFNG, IRF3 TDP1 3657/4885MAOA 3446/4885MAOB 3487/4885
US-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 TDP1 3640/4885MAOA 3066/4885MAOB 3039/4885

“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.