SCHEMBL18558609

SCHEMBL18558609

CC1(CN/C(=N/C(=O)c2ccc(F)c(F)c2)Nc2cc(-c3ccc(F)cc3)n[nH]2)COC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.38
HDAC4 P56524 10/20 0.38
HDAC1 Q13547 10/20 0.38
HDAC7 Q8WUI4 10/20 0.38
HDAC2 Q92769 10/20 0.38
HDAC10 Q969S8 10/20 0.38
HDAC11 Q96DB2 10/20 0.38
HDAC8 Q9BY41 10/20 0.38
HDAC6 Q9UBN7 10/20 0.38
HDAC9 Q9UKV0 10/20 0.38
HDAC5 Q9UQL6 10/20 0.38
NCOR2 Q9Y618 5/20 0.38
CA12 O43570 1/20 0.33
ALPL P05186 1/20 0.33
RPA1 P27694 1/20 0.33
PHGDH O43175 1/20 0.33
MAPT P10636 1/20 0.32
ACR P10323 1/20 0.32
NTRK1 P04629 1/20 0.32
CACNA1G O43497 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
SCHEMBL18558170 0.94 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18558568 0.82 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18557797 0.82 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18558180 0.80 MAPK1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18558067 0.80 RAB9A (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19362668 0.80 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18558616 0.79 MAPK1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18558628 0.79 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18558392 0.79 MAPK1 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18558655 0.78 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2

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 HDAC3 3431/4885HDAC4 1902/4885HDAC1 1753/4885

“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.