SCHEMBL16752811

SCHEMBL16752811

COCC(C)NC(=NC(=O)c1ccc(F)c(F)c1)Nc1n[nH]c2cc(C(F)(F)F)ccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.48
TRPA1 O75762 3/20 0.45
HDAC6 Q9UBN7 6/20 0.43
MAPK1 P28482 2/20 0.40
MAP2K4 P45985 1/20 0.39
MAPK6 Q16659 1/20 0.39
MAPKAPK5 Q8IW41 1/20 0.39
FGFR2 P21802 4/20 0.39
FGFR1 P11362 3/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KIT P10721 2/20 0.37
FLT3 P36888 1/20 0.37

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
SCHEMBL16752808 1.00 GSK3B (0.48) GSK3BTRPA1HDAC6MAPK1MAP2K4
SCHEMBL16752809 1.00 GSK3B (0.48) GSK3BTRPA1HDAC6MAPK1MAP2K4
Sulfuric Acid SCHEMBL16752806 0.97 GSK3B (0.45) GSK3BTRPA1HDAC6MAPK1MAP2K4
Sulfuric Acid SCHEMBL16752805 0.97 GSK3B (0.45) GSK3BTRPA1HDAC6MAPK1MAP2K4
SCHEMBL19976769 0.91 GSK3B (0.51) GSK3BTRPA1HDAC6MAPK1MAP2K4
SCHEMBL16752841 0.89 GSK3B (0.46) GSK3BTRPA1HDAC6MAPK1MAP2K4
SCHEMBL16752848 0.89 GSK3B (0.46) GSK3BTRPA1HDAC6MAPK1MAP2K4
SCHEMBL16769263 0.89 MAPK1 (0.41) GSK3BHDAC6MAPK1FGFR2FGFR1
SCHEMBL16769262 0.89 GSK3B (0.46) GSK3BTRPA1HDAC6MAPK1MAP2K4
SCHEMBL16752844 0.89 GSK3B (0.46) GSK3BTRPA1HDAC6MAPK1MAP2K4

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
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

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 GSK3B 3708/4885TRPA1 3822/4885HDAC6 963/4885

“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.