SCHEMBL5428577

SCHEMBL5428577

Cc1onc(-c2ccccc2)c1-c1nc(CCl)no1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.58
PTGS1 P23219 5/20 0.58
IRS1 P35568 1/20 0.57
TDP1 Q9NUW8 2/20 0.52
MAPT P10636 5/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
KDM4E B2RXH2 1/20 0.47
MT-CO2 P00403 3/20 0.46
ADORA3 P0DMS8 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
LMNA P02545 1/20 0.45
CA3 P07451 1/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL5431928 0.86 NOTUM (0.63) PTGS2PTGS1IRS1TDP1MAPT
SCHEMBL6983193 0.81 PTGS2 (0.67) PTGS2PTGS1IRS1MAPTKMT2A
SCHEMBL5432044 0.79 IRS1 (0.51) PTGS2PTGS1IRS1TDP1MAPT
SCHEMBL5779982 0.79 IRS1 (0.51) PTGS2PTGS1IRS1TDP1MAPT
SCHEMBL120396 0.78 NOTUM (0.68) MAPTALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL6979314 0.76 PTGS2 (0.59) PTGS2PTGS1IRS1MAPTKMT2A
SCHEMBL512933 0.76 L3MBTL1 (0.58) IRS1TDP1MAPTALDH1A1L3MBTL1
SCHEMBL14520444 0.75 PTGS2 (0.73) PTGS2PTGS1MAPTMT-CO2ADORA3
SCHEMBL2277199 0.75 PTGS2 (1.00) PTGS2PTGS1MAPTKMT2ANPSR1
SCHEMBL19541797 0.74 IRS1 (1.00) PTGS2PTGS1IRS1MAPTKMT2A

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 558/4885IRS1 756/4885

“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.