SCHEMBL5423328

SCHEMBL5423328

CC(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.71
PTGS1 P23219 8/20 0.71
BRD4 O60885 3/20 0.66
MT-CO2 P00403 3/20 0.61
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
LMNA P02545 1/20 0.60
CA3 P07451 1/20 0.60
ADRB2 P07550 1/20 0.60
ADRB1 P08588 1/20 0.60
CYP3A4 P08684 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
CHRM1 P11229 1/20 0.60
ADRA2B P18089 1/20 0.60
CA4 P22748 1/20 0.60
CA6 P23280 1/20 0.60
SLC6A2 P23975 1/20 0.60
PDE4A P27815 1/20 0.60
ADORA1 P30542 1/20 0.60

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
SCHEMBL5428461 0.90 PTGS2 (0.73) PTGS2PTGS1BRD4MT-CO2CA12
SCHEMBL5439437 0.90 PTGS2 (0.73) PTGS2PTGS1BRD4MT-CO2CA12
SCHEMBL8112192 0.84 BRD4 (0.55) PTGS2PTGS1BRD4MT-CO2CA12
SCHEMBL2277199 0.84 PTGS2 (1.00) PTGS2PTGS1BRD4MT-CO2CA12
SCHEMBL6251637 0.81 PTGS2 (0.80) PTGS2PTGS1BRD4MT-CO2CA12
SCHEMBL5427092 0.81 PTGS2 (0.80) PTGS2PTGS1BRD4MT-CO2CA12
SCHEMBL25149515 0.81 PTGS2 (0.86) PTGS2PTGS1BRD4MT-CO2CA12
SCHEMBL8350455 0.80 PTGS2 (0.58) PTGS2PTGS1BRD4MT-CO2CA12
SCHEMBL5435322 0.80 PTGS2 (0.58) PTGS2PTGS1MT-CO2CA12CA1
Sulfuric Acid SCHEMBL6263325 0.80 PTGS2 (0.77) PTGS2PTGS1BRD4MT-CO2CA12

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-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 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-20070060629-A1 Large conductance calcium-activated k channel opener KCNN3, KCNN1, KCNN2 PTGS2 594/4885PTGS1 558/4885BRD4 340/4885

“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.