Sugi Predict

Sugi Predict / Compounds / SCHEMBL213732

SCHEMBL213732

SCHEMBL213732

Cc1cc([N+](=O)[O-])c(Cl)cc1OCCCN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 4/20 0.45
▸ HRH1 P35367 4/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ EPHX2 P34913 5/20 0.43
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ EHMT2 Q96KQ7 1/20 0.40

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
SCHEMBL13648180 0.87 ALDH1A1 (0.48) HRH2HRH1ALDH1A1KDM4EMEN1
SCHEMBL3989121 0.87 KDM4E (0.51) HRH2HRH1ALDH1A1KDM4EMEN1
SCHEMBL3989125 0.87 KDM4E (0.51) HRH2HRH1ALDH1A1KDM4EMEN1
SCHEMBL216186 0.84 HTR4 (0.48) HRH2HRH1ALDH1A1KDM4EMEN1
SCHEMBL2735430 0.83 KDM4E (0.53) HRH2HRH1ALDH1A1KDM4EMEN1
SCHEMBL18910916 0.82 MAPT (0.52) HRH2HRH1ALDH1A1KDM4EKMT2A
SCHEMBL19451696 0.81 HRH2 (0.42) HRH2HRH1ALDH1A1KDM4EMEN1
SCHEMBL30084054 0.81 HRH2 (0.42) HRH2HRH1ALDH1A1KDM4EMEN1
SCHEMBL22288339 0.80 EPHX2 (0.42) HRH2HRH1ALDH1A1KDM4EMEN1
SCHEMBL6609541 0.79 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2

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 1368/4885ALDH1A1 4295/4885

“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.