SCHEMBL13637125

SCHEMBL13637125

CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C2(OC=O)c1cccc(C(=O)NCCCCCCOc2cc3sc(C#N)nc3cc2F)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 7/20 0.34
▸ NAMPT P43490 3/20 0.34
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.30
▸ CSNK1E P49674 1/20 0.30
▸ TMEM97 Q5BJF2 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL13637310 0.86 MCHR1 (0.35) MCHR1NAMPTPOLBKMT2AKCNH2
SCHEMBL13662230 0.85 KCNH2 (0.41) KMT2AKCNH2HDAC6
SCHEMBL18804779 0.77 KCNH2 (0.35) KCNH2
SCHEMBL18638161 0.74 LMNA (0.36) POLBKCNH2
SCHEMBL18116829 0.74 KCNH2 (0.44) POLBKMT2AKCNH2
SCHEMBL18266816 0.72 KCNH2 (0.44) KCNH2HDAC6
SCHEMBL18116833 0.71 KCNH2 (0.39) MCHR1NAMPTHDAC3HDAC1KCNH2
SCHEMBL13662226 0.71 KCNH2 (0.43) POLBKMT2AKCNH2
SCHEMBL1044813 0.71 ACACB (0.35) MCHR1KMT2A
SCHEMBL18638720 0.70 KCNH2 (0.38) HDAC3HDAC1KCNH2HDAC6

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
WO-2009142678-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES PROMEGA CORPORATIN (US) 2009-11-26 — — WO disclosed
US-20090263843-A1 Protein labeling with cyanobenzothiazole conjugates PROMEGA CORPORATION (US) 2009-10-22 — — 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-20090263843-A1 Protein labeling with cyanobenzothiazole conjugates QPCTL, BCAT1, QPCT MCHR1 1574/4885NAMPT 2578/4885HDAC3 2935/4885

“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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