SCHEMBL5423393

SCHEMBL5423393

Cc1onc(-c2ccccc2)c1-c1ccc(C(=O)NC[C@H](C)O)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GABRA5 P31644 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ PTGS2 P35354 7/20 0.46
▸ PTGS1 P23219 3/20 0.46
▸ MT-CO2 P00403 2/20 0.46
▸ NR4A2 P43354 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ BRD4 O60885 2/20 0.44
▸ ACR P10323 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL14562118 0.86 KDM4E (0.48) KDM4EHTTPTGS2PTGS1MT-CO2
SCHEMBL14562141 0.84 GABRA5 (0.62) GABRA5PTGS2PTGS1MT-CO2NR4A2
SCHEMBL5424070 0.82 PTGS2 (0.57) KDM4EHTTPTGS2PTGS1MT-CO2
SCHEMBL14562116 0.82 GAA (0.48) GABRA5KDM4EHTTPTGS2PTGS1
SCHEMBL14562117 0.80 ALDH1A1 (0.62) HTTALDH1A1KMT2A
SCHEMBL8102144 0.78 GABRA5 (0.52) GABRA5KDM4EALDH1A1KMT2AMEN1
SCHEMBL14562155 0.75 PTGS2 (0.48) HTTPTGS2PTGS1MT-CO2NR4A2
SCHEMBL14562140 0.74 GABRA5 (0.63) GABRA5PTGS2PTGS1MT-CO2NR4A2
SCHEMBL14562164 0.74 GABRA5 (0.63) GABRA5PTGS2PTGS1MT-CO2NR4A2
SCHEMBL14562170 0.74 GABRA5 (0.63) GABRA5PTGS2PTGS1MT-CO2NR4A2

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 5 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
EP-1675585-A2 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2006-07-05 — — EP disclosed
WO-2005037271-A2 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2005-04-28 — — WO 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 GABRA5 198/4885KDM4E 722/4885HTT 3097/4885

“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.

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