SCHEMBL215401

SCHEMBL215401

Nc1ccc(OCC2CCN(C(=O)O)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.48
F2 P00734 3/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
F10 P00742 2/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL5765504 0.85 SIGMAR1 (0.52) SIGMAR1GAALMNASMN1; SMN2HTT
SCHEMBL216209 0.85 CHEK2 (0.49) SIGMAR1F2LMNAALDH1A1
SCHEMBL216252 0.84 F10 (0.47) SIGMAR1F2F10
SCHEMBL215878 0.84 SMN1; SMN2 (0.57) SIGMAR1F2LMNASMN1; SMN2NPC1
SCHEMBL22126801 0.83 SIGMAR1 (0.68) SIGMAR1F2LMNASMN1; SMN2HTT
SCHEMBL213412 0.82 LMNA (0.45) GAALMNASMN1; SMN2NPC1RAB9A
SCHEMBL10268068 0.82 TLR4 (0.51) SIGMAR1LMNARAB9AKMT2AMEN1
SCHEMBL214491 0.78 PARP15 (0.51) F2F10
SCHEMBL22348727 0.76 ALDH1A1 (0.42) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL20982501 0.75 MAPT (0.58) SIGMAR1F2LMNAKMT2AMEN1

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 SIGMAR1 3766/4885F2 2035/4885GAA 2375/4885

“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.