SCHEMBL4908287

SCHEMBL4908287

[O-][n+]1ccncc1-c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.37
MAPK13 O15264 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK11 Q15759 2/20 0.37
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RPS6KA3 P51812 2/20 0.35
CYP19A1 P11511 1/20 0.33
MAPK10 P53779 1/20 0.33
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
GCGR P47871 1/20 0.32

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
SCHEMBL4902564 0.81 RAB9A (0.37) ALDH1A1PKMPOLBSMN1; SMN2RPS6KA3
SCHEMBL4905152 0.77 KDM4E (0.41) ALDH1A1SMN1; SMN2RPS6KA3CYP19A1RAB9A
SCHEMBL30406224 0.71 LMNA (0.39) MAPK14ALDH1A1SMN1; SMN2MAPK10RAB9A
SCHEMBL2947533 0.71 LMNA (0.39) MAPK14ALDH1A1SMN1; SMN2MAPK10RAB9A
SCHEMBL18786580 0.66 SLC6A7 (0.43) ALDH1A1POLB
SCHEMBL18093544 0.66 CYP2A6 (0.46) ALDH1A1PKMPOLBSMN1; SMN2RAB9A
SCHEMBL3068768 0.65 NISCH (0.35) ALDH1A1CYP19A1RAB9AMEN1KMT2A
SCHEMBL4897541 0.62
SCHEMBL2947322 0.62 BCL2L1 (0.39) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL22778132 0.61 CYP2A6 (0.68) ALDH1A1CYP19A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132698-A1 Use of N-oxide compounds in coupling reactions UNIVERSITY OF OTTAWA 2008-06-05 US disclosed
US-20080132698-A1 Use of N-oxide compounds in coupling reactions UNIVERSITY OF OTTAWA 2008-06-05 US disclosed
US-20080132698-A1 Use of N-oxide compounds in coupling reactions UNIVERSITY OF OTTAWA 2008-06-05 US 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-20080132698-A1 Use of N-oxide compounds in coupling reactions CYP4X1, CYP4F3, CYP1A2 MAPK14 3470/4885MAPK13 2986/4885MAPK12 3920/4885

“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.