SCHEMBL14474348

SCHEMBL14474348

O=[N+]([O-])c1cccc2c1CC1CCC(C2)/C1=N/CO

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 0.35
ALDH1A1 P00352 6/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ACHE P22303 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
DRD2 P14416 1/20 0.32
ADRA2C P18825 1/20 0.32
NPY1R P25929 1/20 0.32
NPY5R Q15761 1/20 0.32
ALOX15 P16050 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 2/20 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
SCHEMBL5621945 0.87 CHRNB2 (0.39) CHRNB2CHRNA4GPR35ALDH1A1KMT2A
SCHEMBL14458459 0.87 CHRNB2 (0.39) CHRNB2CHRNA4GPR35ALDH1A1KMT2A
SCHEMBL7909196 0.79 ACHE (0.42) CHRNB2CHRNA4GPR35ALDH1A1KMT2A
SCHEMBL14474350 0.76 PNMT (0.50) ADRA2C
SCHEMBL14202528 0.75 CYP2D6 (0.38) CHRNB2CHRNA4KMT2AMEN1MAPT
SCHEMBL2246781 0.74 GPR35 (0.42) CHRNB2CHRNA4GPR35ALDH1A1KMT2A
SCHEMBL5916971 0.71 GPR35 (0.46) CHRNB2CHRNA4GPR35ALDH1A1KMT2A
SCHEMBL5621125 0.70 CHRNB2 (0.40) CHRNB2CHRNA4GPR35ALDH1A1KMT2A
SCHEMBL5622654 0.70 CHRNB2 (0.40) CHRNB2CHRNA4GPR35ALDH1A1KMT2A
SCHEMBL12716705 0.69 CHRNB2 (0.39) CHRNB2CHRNA4GPR35ALDH1A1KMT2A

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.