SCHEMBL4899652

SCHEMBL4899652

[O-][n+]1c(-c2ccccc2)cnc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
BCHE P06276 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
CASP6 P55212 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
SCHEMBL4897532 0.86 TDP1 (0.39) NPC1RAB9ASMN1; SMN2CRHBPCRHR2
SCHEMBL4897609 0.85 CYP2A6 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL14170378 0.82 ERN1 (0.36) NPC1RAB9ASMN1; SMN2CRHBPCRHR2
SCHEMBL4908402 0.81 RAB9A (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4905366 0.79 CRHBP (0.51) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4907642 0.77 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL11710268 0.73 CRHBP (0.37) NPC1RAB9ASMN1; SMN2CRHBPCRHR2
SCHEMBL864536 0.73 CRHBP (0.37) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL27913228 0.73 CRHBP (0.40) NPC1RAB9ASMN1; SMN2CRHBPCRHR2
SCHEMBL13503079 0.73 CRHBP (0.37) BCL2NPC1RAB9ASMN1; SMN2CRHBP

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 BCL2 4491/4885NPC1 731/4885RAB9A 1209/4885

“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.