SCHEMBL4881547

SCHEMBL4881547

NC(=O)c1ccccc1Oc1ccccc1-c1cnco1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.48
IMPDH2 P12268 12/20 0.43
PARP1 P09874 1/20 0.43
AAK1 Q2M2I8 4/20 0.41
IMPDH1 P20839 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39
MAPT P10636 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL12542745 0.89 IMPDH2 (0.42) IMPDH2PARP1AAK1IMPDH1
SCHEMBL4879222 0.85 CTNNB1 (0.42) CTNNB1IMPDH2PARP1AAK1IRAK4
SCHEMBL15741721 0.84 PARP1 (0.49) IMPDH2PARP1LMNAMAPT
SCHEMBL6629751 0.80 CTNNB1 (0.53) CTNNB1PARP1IRAK4MEN1NR1I2
SCHEMBL4886184 0.79 IMPDH2 (0.47) IMPDH2AAK1IMPDH1
SCHEMBL7693879 0.75 CTNNB1 (0.77) CTNNB1PARP1IRAK4MEN1NR1I2
SCHEMBL12542839 0.75 PARP1 (0.39) IMPDH2PARP1AAK1IMPDH1
SCHEMBL30005971 0.73 KDM4E (0.50) IMPDH2LMNACYP3A4KMT2A
SCHEMBL3716310 0.73 KDM4E (0.50) IMPDH2LMNACYP3A4KMT2A
SCHEMBL3649697 0.73 PARP1 (0.53) IMPDH2PARP1MEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236823-B2 Multi-cyclic compounds and methods of use AMGEN INC. (US) 2012-08-07 US disclosed
US-20080255205-A1 protein kinase receptors (like Tie-2 and Aurora) modulators; to treat cancer, inflammation and related disorders; to regulate active angiogenesis, cell-signal transduction; 5-(3-(1H-tetrazol-5-yl)pyridin-2-yloxy)-N-(3-chlorobenzyl)-2-fluorobenzamide AMGEN INC. (US) 2008-10-16 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-20080255205-A1 protein kinase receptors (like Tie-2 and Aurora) modulators; to treat cancer, inflammation and related disorders; to regulate active angiogenesis, cell-signal transduction; 5-(3-(1H-tetrazol-5-yl)pyridin-2-yloxy)-N-(3-chlorobenzyl)-2-fluorobenzamide TIE1, AURKB, TEK CTNNB1 713/4885IMPDH2 3365/4885PARP1 1371/4885

“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.