Sugi Predict

Sugi Predict / Compounds / SCHEMBL1345075

SCHEMBL1345075

SCHEMBL1345075

CCOC(=O)c1c(C)n(C2CC2)c2c(OC)c(F)c(F)c([N+](=O)[O-])c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 3/20 0.36
▸ AR P10275 5/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TNF P01375 1/20 0.33
▸ GRK6 P43250 1/20 0.32
▸ DRD2 P14416 1/20 0.30
▸ STAT3 P40763 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1344858 0.86 ALDH1A1 (0.38) ALDH1A1MAPTARNPSR1HSD17B10
SCHEMBL1344927 0.84 GRK6 (0.38) ALDH1A1MAPTSMN1; SMN2NPSR1NPC1
SCHEMBL1345260 0.80 ADRB2 (0.44) ALDH1A1POLBSTAT3
SCHEMBL1344887 0.77 ADRB2 (0.41) ALDH1A1ARPOLBSTAT3
SCHEMBL1343230 0.74 STAT3 (0.46) ALDH1A1MAPTNPC1POLBTNF
SCHEMBL3869794 0.74 MEN1 (0.37) ALDH1A1SMN1; SMN2TNF
SCHEMBL2083649 0.73 STAT3 (0.41) ALDH1A1MAPTNPC1POLBTNF
SCHEMBL2083651 0.73 STAT3 (0.41) ALDH1A1MAPTNPC1POLBTNF
SCHEMBL3872003 0.73 DRD2 (0.33) SMN1; SMN2DRD2
SCHEMBL1345069 0.72 ADRB2 (0.42) ALDH1A1MAPTNPC1POLBSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013182-B1 AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2013-09-04 — — EP disclosed
EP-2383271-B1 Aminoquinolones as GSK-3 Inhibitors KYORIN SEIYAKU KK (JP) 2013-07-10 — — EP disclosed
US-8063221-B2 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 — — US disclosed
US-8063221-B2 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 — — US disclosed
US-8063221-B2 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 — — US disclosed
EP-2383271-A1 Aminoquinolones as GSK-3 Inhibitors Kyorin Pharmaceutical Co., Ltd. (JP) 2011-11-02 — — EP disclosed
EP-2013182-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS Activx Biosciences, Inc. (US) 2009-01-14 — — EP disclosed
US-20070254866-A1 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 — — US disclosed
US-20070254866-A1 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 — — US disclosed
US-20070254866-A1 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 — — US disclosed
WO-2007106537-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2007-09-20 — — 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 (1 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-20070254866-A1 Aminoquinolones as GSK-3 inhibitors GSK3B, GSK3A, GSKIP ALDH1A1 3185/4885MAPT 694/4885AR 2137/4885

“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.