SCHEMBL216138

SCHEMBL216138

Cc1cc(OC2CN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.43
LMNA P02545 2/20 0.42
USP30 Q70CQ3 1/20 0.42
MAPT P10636 1/20 0.42
GPR119 Q8TDV5 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL31049781 1.00 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL214982 0.89 GPR119 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL15157530 0.88 MAPT (0.44) ALDH1A1LMNAUSP30MAPTGPR119
SCHEMBL31467374 0.88 GPR119 (0.49) ALDH1A1LMNAUSP30MAPTGPR119
SCHEMBL26689495 0.88 GPR119 (0.49) ALDH1A1LMNAUSP30MAPTGPR119
SCHEMBL3316022 0.87 PDE4B (0.43) ALDH1A1LMNAUSP30MAPTGPR119
SCHEMBL21633347 0.86 MAPT (0.42) SMN1; SMN2ALDH1A1LMNAUSP30MAPT
SCHEMBL22348640 0.85 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1LMNAUSP30MAPT
SCHEMBL16333982 0.85 USP30 (0.41) SMN1; SMN2ALDH1A1LMNAUSP30MAPT
SCHEMBL17164779 0.84 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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 6 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-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

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 NPC1 3307/4885RAB9A 2213/4885SMN1; SMN2 2516/4885

“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.