SCHEMBL14458459

SCHEMBL14458459

O=[N+]([O-])c1cccc2c1CC1CCC(C2)C1=NO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
GPR35 Q9HC97 2/20 0.39
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 5/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5621945 1.00 CHRNB2 (0.39) CHRNB2CHRNA4GPR35ACHETDP1
SCHEMBL14474348 0.87 CHRNB2 (0.39) CHRNB2CHRNA4GPR35ACHETDP1
SCHEMBL7909196 0.84 ACHE (0.42) CHRNB2CHRNA4GPR35ACHETDP1
SCHEMBL6109893 0.76 DRD2 (0.45) DRD2
SCHEMBL5622060 0.75 PNMT (0.50) ADRA2C
SCHEMBL6107223 0.75 PNMT (0.50) ADRA2C
SCHEMBL6107220 0.75 PNMT (0.50) ADRA2C
SCHEMBL5916971 0.75 GPR35 (0.46) CHRNB2CHRNA4GPR35ACHETDP1
SCHEMBL5621125 0.74 CHRNB2 (0.40) CHRNB2CHRNA4GPR35ACHETDP1
SCHEMBL5622654 0.74 CHRNB2 (0.40) CHRNB2CHRNA4GPR35ACHETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173525-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2007-07-26 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-20070173525-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 CHRNB2 2871/4885CHRNA4 2174/4885GPR35 1010/4885

“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.