SCHEMBL19782842

SCHEMBL19782842

CC(C)(S)c1ccc2c(ccc3nnnn32)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 9/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHEK1 O14757 1/20 0.31
LIMK1 P53667 1/20 0.31
MAPK14 Q16539 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL18213669 0.88 KCNH2 (0.39) KCNJ1MEN1KMT2ACHEK1LIMK1
SCHEMBL12638572 0.76 MEN1 (0.36) KCNJ1MEN1KMT2ACHEK1LIMK1
SCHEMBL12638578 0.73 CYP2C9 (0.37) KCNJ1MEN1KMT2ATSHR
SCHEMBL16897620 0.70 CYP2A6 (0.45) KCNJ1MEN1KMT2A
SCHEMBL16869123 0.67 KCNJ1 (0.35) KCNJ1MEN1KMT2ATSHR
SCHEMBL16866956 0.67 KCNJ1 (0.35) KCNJ1MEN1KMT2ATSHR
SCHEMBL12638763 0.64 KCNJ1 (0.35) KCNJ1HPGDTSHR
SCHEMBL25961076 0.62 PTPN1 (0.46)
SCHEMBL19105493 0.61 KCNJ1 (0.41) KCNJ1MEN1KMT2ACHEK1LIMK1
SCHEMBL24657652 0.59 BACE1 (0.43) MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016263-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2018-01-18 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-20180016263-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, SLC9A1 KCNJ1 2/4885MEN1 354/4885KMT2A 1703/4885

“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.