Sugi Predict

Sugi Predict / Compounds / SCHEMBL9921132

SCHEMBL9921132

SCHEMBL9921132

O=C(/N=C(\Nc1cc(C(F)(F)F)n[nH]1)NC1CCOCC1)c1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 2/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ GSK3B P49841 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ DYRK1A Q13627 1/20 0.35
▸ GABRA5 P31644 2/20 0.35
▸ TRPV1 Q8NER1 2/20 0.35
▸ EPHX2 P34913 3/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ TAS1R2 Q8TE23 1/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ MCHR1 Q99705 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
SCHEMBL9921119 0.95 MAPK1 (0.39) HDAC4HDAC6GSK3BKCNH2GABRA5
SCHEMBL9921025 0.93 HDAC6 (0.39) HDAC4HDAC6GSK3BKCNH2DYRK1A
SCHEMBL9920869 0.92 NPC1 (0.42) HDAC4HDAC6KCNH2EPHX2NPC1
SCHEMBL9920911 0.92 NPC1 (0.39) HDAC4HDAC6KCNH2DYRK1AEPHX2
SCHEMBL17089705 0.91 HDAC4 (0.41) HDAC4HDAC6GSK3BKCNH2DYRK1A
SCHEMBL18558259 0.90 TAS1R3 (0.35) HDAC4KCNH2TRPV1NPC1RAB9A
SCHEMBL9921133 0.90 GSK3B (0.39) HDAC4HDAC6GSK3BKCNH2EPHX2
SCHEMBL9920694 0.89 TRPV1 (0.43) HDAC4HDAC6TRPV1EPHX2
SCHEMBL9920822 0.84 HDAC6 (0.36) HDAC4HDAC6TRPV1MAPK1PDE4B
SCHEMBL9920885 0.84 ACKR3 (0.37) HDAC4HDAC6EPHX2NPC1RAB9A

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 HDAC4 1902/4885HDAC6 2034/4885GSK3B 4597/4885

“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.