SCHEMBL14562118

SCHEMBL14562118

Cc1onc(-c2ccccc2)c1-c1ccc(C(=O)NCC(N)=O)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ BACE1 P56817 2/20 0.46
▸ PTGS2 P35354 8/20 0.46
▸ PTGS1 P23219 4/20 0.46
▸ MT-CO2 P00403 3/20 0.46
▸ NR4A2 P43354 1/20 0.45
▸ CYP2C19 P33261 1/20 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
▸ ADORA3 P0DMS8 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ CA4 P22748 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
SCHEMBL14562155 0.90 PTGS2 (0.48) HTTBACE1PTGS2PTGS1MT-CO2
SCHEMBL5423393 0.86 GABRA5 (0.50) KDM4EHTTPTGS2PTGS1MT-CO2
SCHEMBL5424070 0.82 PTGS2 (0.57) KDM4EHTTPTGS2PTGS1MT-CO2
SCHEMBL14562116 0.82 GAA (0.48) KDM4EHTTPTGS2PTGS1MT-CO2
SCHEMBL14562117 0.80 ALDH1A1 (0.62) HTTLMNAKMT2AALDH1A1
SCHEMBL14562104 0.76 PTGS2 (0.57) KDM4EHTTPTGS2PTGS1MT-CO2
SCHEMBL14562156 0.75 GABRA5 (0.52) —
SCHEMBL5420970 0.74 PTGS2 (0.56) KDM4EHTTPTGS2PTGS1MT-CO2
SCHEMBL5435322 0.74 PTGS2 (0.58) PTGS2PTGS1MT-CO2NR4A2CYP2C19
SCHEMBL14562102 0.73 PTGS2 (0.60) HTTPTGS2PTGS1MT-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 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 KDM4E 722/4885HTT 3097/4885BACE1 1573/4885

“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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