SCHEMBL18558161

SCHEMBL18558161

CC(C)(C)N/C(=N/C(=O)c1ccc(Cl)c(F)c1)Nc1cc(-c2ccc(F)cc2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 4/20 0.40
HDAC6 Q9UBN7 7/20 0.38
HDAC3 O15379 6/20 0.38
HDAC4 P56524 6/20 0.38
HDAC1 Q13547 6/20 0.38
HDAC7 Q8WUI4 6/20 0.38
HDAC2 Q92769 6/20 0.38
HDAC10 Q969S8 6/20 0.38
HDAC11 Q96DB2 6/20 0.38
HDAC8 Q9BY41 6/20 0.38
HDAC9 Q9UKV0 6/20 0.38
HDAC5 Q9UQL6 6/20 0.38
NCOR2 Q9Y618 5/20 0.38
CA12 O43570 1/20 0.37
RPA1 P27694 1/20 0.37
KCNQ3 O43525 2/20 0.36
KCNQ2 O43526 2/20 0.36
KCNE1 P15382 2/20 0.36
KCNQ1 P51787 2/20 0.36
KCNQ5 Q9NR82 1/20 0.36

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
SCHEMBL18557703 0.94 ALPL (0.40) ALPLHDAC6CA12KCNQ3KCNQ2
SCHEMBL18558242 0.93 ALPL (0.39) ALPLHDAC6KCNQ3KCNQ2KCNE1
SCHEMBL18558272 0.92 ALPL (0.40) ALPLHDAC6KCNQ3KCNQ2KCNE1
SCHEMBL18558533 0.92 ALPL (0.40) ALPLHDAC6KCNQ3KCNQ2KCNE1
SCHEMBL18558487 0.91 ALPL (0.42) ALPLHDAC6HDAC3HDAC4HDAC1
SCHEMBL18558244 0.91 MAPT (0.41) ALPLHDAC6HDAC3HDAC4HDAC1
SCHEMBL18558589 0.90 HDAC1 (0.38) ALPLHDAC6HDAC3HDAC4HDAC1
SCHEMBL18558217 0.89 ALPL (0.39) ALPLHDAC6HDAC3HDAC4HDAC1
SCHEMBL18558155 0.89 MAPT (0.41) ALPLHDAC6HDAC3HDAC4HDAC1
SCHEMBL18557830 0.89 MAPT (0.41) ALPLHDAC6HDAC3HDAC4HDAC1

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 ALPL 4028/4885HDAC6 2034/4885HDAC3 3431/4885

“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.