Sugi Predict

Sugi Predict / Compounds / SCHEMBL9920882

SCHEMBL9920882

SCHEMBL9920882

O=C(/N=C(\Nc1cc(C(F)(F)F)n[nH]1)NC1CCCOC1)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.39
▸ MAPK1 P28482 2/20 0.37
▸ CCNA2 P20248 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ CCNA1 P78396 2/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ NAMPT P43490 2/20 0.35
▸ CXCR2 P25025 1/20 0.34
▸ TACR2 P21452 1/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ CETP P11597 2/20 0.33
▸ CNR1 P21554 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ HDAC4 P56524 2/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ MAPT P10636 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
SCHEMBL9920809 0.93 EPHX2 (0.40) CNR2MAPK1CCNA2CDK2CCNA1
SCHEMBL9921133 0.91 GSK3B (0.39) CNR2MAPK1GSK3BKCNH2NAMPT
SCHEMBL9921137 0.90 CCNA2 (0.41) MAPK1CCNA2CDK2CCNA1TACR2
SCHEMBL9921024 0.90 GSK3B (0.38) CNR2MAPK1CCNA2CDK2CCNA1
SCHEMBL17089705 0.89 HDAC4 (0.41) CNR2CCNA2CDK2CCNA1GSK3B
SCHEMBL9921119 0.86 MAPK1 (0.39) MAPK1GSK3BKCNH2NAMPTCETP
SCHEMBL9920693 0.82 TRPV1 (0.42) CCNA2CDK2CCNA1EPHX2HDAC4
SCHEMBL9920699 0.82 TRPV1 (0.40) CCNA2CDK2CCNA1EPHX2HDAC4
SCHEMBL9920694 0.82 TRPV1 (0.43) CCNA2CDK2CCNA1EPHX2HDAC4
SCHEMBL9920883 0.81 ALDH1A1 (0.47) GSK3BKCNH2MAPT

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 CNR2 4624/4885MAPK1 2483/4885CCNA2 2502/4885

“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.