SCHEMBL16769264

SCHEMBL16769264

CC(C)(O)CN/C(=N/C(=O)c1ccc(Cl)cc1)Nc1n[nH]c2cc(F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.45
GSK3B P49841 7/20 0.44
MAP2K4 P45985 4/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CYP1A2 P05177 2/20 0.41
MAPK1 P28482 1/20 0.39
MAPK6 Q16659 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39

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
SCHEMBL16752836 1.00 HDAC6 (0.45) HDAC6GSK3BMAP2K4HDAC1HDAC2
SCHEMBL16752833 1.00 HDAC6 (0.45) HDAC6GSK3BMAP2K4HDAC1HDAC2
SCHEMBL19976744 0.92 GSK3B (0.45) HDAC6GSK3BMAP2K4CYP1A2MAPK1
SCHEMBL19976886 0.91 GSK3B (0.43) HDAC6GSK3BMAP2K4CYP1A2MAPK1
SCHEMBL19976787 0.90 HDAC6 (0.43) HDAC6GSK3BMAP2K4HDAC1HDAC2
SCHEMBL19976882 0.86 MAPK1 (0.46) HDAC6GSK3BMAP2K4HDAC1HDAC2
SCHEMBL19976859 0.86 GSK3B (0.45) HDAC6GSK3BMAP2K4CYP1A2
SCHEMBL19976888 0.81 GSK3B (0.51) HDAC6GSK3BMAP2K4HDAC1HDAC2
SCHEMBL16675958 0.81 GSK3B (0.43) HDAC6GSK3BHDAC1HDAC2HDAC8
SCHEMBL19976747 0.78 GSK3B (0.45) HDAC6GSK3BMAP2K4CYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 US disclosed
US-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 US disclosed
US-20150152063-A1 INDAZOLE GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-06-04 US disclosed
US-20150152063-A1 INDAZOLE GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-06-04 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-20150152063-A1 INDAZOLE GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D HDAC6 963/4885GSK3B 3708/4885MAP2K4 3362/4885

“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.