Sugi Predict

Sugi Predict / Compounds / SCHEMBL9921025

SCHEMBL9921025

SCHEMBL9921025

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MAPK1 P28482 7/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ RPS6KA1 Q15418 2/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ ATF4 P18848 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ DGAT2 Q96PD7 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
SCHEMBL9921132 0.93 HDAC4 (0.40) HDAC6HDAC4TRPV1GSK3BKCNH2
SCHEMBL9920822 0.92 HDAC6 (0.36) HDAC6HDAC4TRPV1MAPK1CDK2
SCHEMBL9920885 0.92 ACKR3 (0.37) HDAC6HDAC4EPHX2CDK2MEN1
SCHEMBL18558524 0.90 MEN1 (0.35) HDAC6TRPV1EPHX2CDK2ATF4
SCHEMBL9921024 0.90 GSK3B (0.38) HDAC6TRPV1GSK3BKCNH2MAPK1
SCHEMBL17089705 0.89 HDAC4 (0.41) HDAC6HDAC4TRPV1GSK3BKCNH2
SCHEMBL18558525 0.89 DYRK1A (0.34) HDAC6GSK3BDYRK1AATF4MEN1
SCHEMBL9921119 0.88 MAPK1 (0.39) HDAC6HDAC4GSK3BKCNH2MAPK1
SCHEMBL9920694 0.87 TRPV1 (0.43) HDAC6HDAC4TRPV1EPHX2CDK2
SCHEMBL9921026 0.85 ALDH1A1 (0.38) GSK3BKCNH2ALDH1A1DGAT2

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 HDAC6 2034/4885HDAC4 1902/4885TRPV1 3419/4885

“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.