SCHEMBL216796

SCHEMBL216796

Cc1cc(OC2CCN(C(=O)O)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 5/20 0.50
LMNA P02545 2/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 4/20 0.47
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL6342736 0.90 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL17164779 0.88 NPC1 (0.51) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL30043078 0.86 ALDH1A1 (0.46) SMN1; SMN2KDM4ELMNAHTTALDH1A1
SCHEMBL12485845 0.85 GPR119 (0.43) ALDH1A1
SCHEMBL217293 0.85 HRH1 (0.46)
SCHEMBL214982 0.85 GPR119 (0.55) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL25725414 0.85 LMNA (0.58) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL30072756 0.84 MAPT (0.48) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL18956979 0.84 MAPT (0.48) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL310027 0.83 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2KDM4ELMNA

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 4 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-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.