SCHEMBL18558358

SCHEMBL18558358

Cc1cc(N/C(=N\C(=O)c2ccc(Cl)c(F)c2)NC(C)(C)C)[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.38
ALPL P05186 2/20 0.38
KCNQ3 O43525 2/20 0.37
KCNQ2 O43526 2/20 0.37
KCNE1 P15382 2/20 0.37
KCNQ1 P51787 2/20 0.37
KCNQ5 Q9NR82 1/20 0.37
HTT P42858 1/20 0.36
ANO1 Q5XXA6 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
MAOB P27338 3/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
KDR P35968 1/20 0.33
CHUK O15111 1/20 0.33
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32

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
SCHEMBL18558432 0.92 CHRNA1 (0.38) ALPLKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL18558242 0.87 ALPL (0.39) HDAC6ALPLKCNQ3KCNQ2KCNE1
SCHEMBL18558272 0.86 ALPL (0.40) HDAC6ALPLKCNQ3KCNQ2KCNE1
SCHEMBL18557703 0.86 ALPL (0.40) HDAC6ALPLKCNQ3KCNQ2KCNE1
SCHEMBL18558161 0.86 ALPL (0.40) HDAC6ALPLKCNQ3KCNQ2KCNE1
SCHEMBL18558533 0.86 ALPL (0.40) HDAC6ALPLKCNQ3KCNQ2KCNE1
SCHEMBL17088576 0.86 PRKAB2 (0.37) HDAC6ALPLPRKAB2PRKAG1PRKAA2
SCHEMBL18558602 0.84 HDAC6 (0.36) HDAC6KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL18557825 0.84 ALPL (0.38) HDAC6ALPLHTT
SCHEMBL18558594 0.83 HDAC6 (0.39) HDAC6PRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932313-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-04-03 US disclosed
US-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 US disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 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-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5F1D, ATP5ME HDAC6 2034/4885ALPL 4028/4885KCNQ3 2176/4885

“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.