Sugi Predict

Sugi Predict / Compounds / SCHEMBL214527

SCHEMBL214527

SCHEMBL214527

CC(C)(C)OC(=O)N1CCN(CCCOc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 6/20 0.51
▸ HRH1 P35367 6/20 0.51
▸ KDM4E B2RXH2 4/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ EPHX2 P34913 6/20 0.47
▸ HTT P42858 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GPR119 Q8TDV5 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
SCHEMBL2735430 0.87 KDM4E (0.53) HRH2HRH1KDM4EMEN1KMT2A
SCHEMBL214957 0.84 EPHX2 (0.50) HRH2HRH1EPHX2GPR119
SCHEMBL3314377 0.81 DRD3 (0.52) HRH2HRH1KDM4EMEN1KMT2A
SCHEMBL3583026 0.80 TLR9 (0.49) HRH2HRH1KDM4EKMT2AALDH1A1
SCHEMBL214604 0.80 KDM4E (0.50) HRH2HRH1KDM4EMEN1KMT2A
SCHEMBL5935416 0.79 MAOB (0.51) EPHX2
SCHEMBL12041715 0.79 GPR119 (0.53) ALDH1A1EPHX2GPR119
SCHEMBL7378538 0.78 SIRT6 (0.65) MEN1KMT2AALDH1A1HTTRAB9A
Oxalic Acid SCHEMBL9386116 0.78 KDM4E (0.52) HRH2HRH1KDM4EMEN1KMT2A
Oxalic Acid SCHEMBL9386119 0.78 KDM4E (0.52) HRH2HRH1KDM4EMEN1KMT2A

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
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 — — US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 — — US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 — — US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 — — EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 — — WO disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 — — 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 (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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 HRH2 884/4885HRH1 1368/4885KDM4E 952/4885

“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.