SCHEMBL9921026

SCHEMBL9921026

O=C(/N=C(/Nc1cc(C(F)(F)F)n[nH]1)NC1CCS(=O)(=O)C1)c1ccc(Cl)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
GSK3B P49841 1/20 0.37
KCNH2 Q12809 1/20 0.37
POLB P06746 3/20 0.35
DGAT2 Q96PD7 6/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SCN9A Q15858 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL9920883 0.90 ALDH1A1 (0.47) ALDH1A1GSK3BKCNH2POLBDGAT2
SCHEMBL9920885 0.88 ACKR3 (0.37) ALDH1A1
SCHEMBL9920822 0.88 HDAC6 (0.36) ALDH1A1
SCHEMBL18558524 0.86 MEN1 (0.35) ALDH1A1
SCHEMBL9921025 0.85 HDAC6 (0.39) ALDH1A1GSK3BKCNH2DGAT2
SCHEMBL18558525 0.85 DYRK1A (0.34) ALDH1A1GSK3BSCN9A
SCHEMBL19041504 0.84 HDAC6 (0.32)
SCHEMBL9921024 0.83 GSK3B (0.38) GSK3BKCNH2
SCHEMBL9920869 0.81 NPC1 (0.42) KCNH2POLB
SCHEMBL9920911 0.81 NPC1 (0.39) KCNH2

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 6 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
EP-2648511-B1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2017-06-28 EP disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 US disclosed
WO-2012078874-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 WO 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 ALDH1A1 2132/4885GSK3B 4597/4885KCNH2 1623/4885

“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.