SCHEMBL14562121

SCHEMBL14562121

Cc1onc(-c2ccccc2)c1-c1ccc(C(=O)NCCC(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.53
PTGS1 P23219 4/20 0.53
MT-CO2 P00403 3/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
LMNA P02545 1/20 0.51
CA3 P07451 1/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
ADRA2B P18089 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
SLC6A2 P23975 1/20 0.51
PDE4A P27815 1/20 0.51
ADORA1 P30542 1/20 0.51
CA5A P35218 1/20 0.51

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
SCHEMBL14562157 0.94 L3MBTL1 (0.53) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL14562143 0.94 HDAC6 (0.56) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL8110226 0.88 GABRA5 (0.46) PTGS2LMNAGABRA5MEN1KMT2A
SCHEMBL14562154 0.87 MAPK8 (0.55) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL14562138 0.86 HDAC6 (0.57) PTGS2PTGS1MT-CO2NR4A2L3MBTL1
SCHEMBL14562166 0.84 PTGS2 (0.53) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL5435322 0.84 PTGS2 (0.58) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL14562134 0.83 GABRA5 (0.63) PTGS2PTGS1MT-CO2NR4A2L3MBTL1
SCHEMBL14562139 0.81 GABRA5 (0.53) PTGS2PTGS1MT-CO2LMNACYP3A4
SCHEMBL14562125 0.81 PTGS2 (0.55) PTGS2PTGS1MT-CO2CA12CA1

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-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 558/4885MT-CO2 1536/4885

“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.