SCHEMBL9939482

SCHEMBL9939482

CC1CCC(N/C(=N/C(=O)c2ccc(C(F)(F)F)cc2)Nc2cccc(O)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
PHGDH O43175 1/20 0.37
CYP2D6 P10635 1/20 0.36
MCHR1 Q99705 1/20 0.36
HDAC4 P56524 1/20 0.36
CRHR1 P34998 1/20 0.35
ATR Q13535 1/20 0.35
MDM2 Q00987 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 2/20 0.35
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
GFER P55789 1/20 0.34
ROCK2 O75116 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
SCHEMBL9939496 0.95 HDAC4 (0.39) MAPK11MAPK14PHGDHMCHR1HDAC4
SCHEMBL9939747 0.91 EPHX2 (0.41) HDAC4SMN1; SMN2EPHX2ALDH1A1
SCHEMBL9939789 0.90 HDAC4 (0.36) MAPK11MAPK14PHGDHMCHR1HDAC4
SCHEMBL15479561 0.90 EPHX2 (0.43) HDAC4SMN1; SMN2EPHX2ALDH1A1
SCHEMBL9938528 0.89 HDAC4 (0.44) PHGDHMCHR1HDAC4ATREPHX2
SCHEMBL9939670 0.88 ROCK2 (0.37) MAPK11MAPK14PHGDHMCHR1HDAC4
SCHEMBL9939782 0.85 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MDM2GAA
SCHEMBL9939843 0.83 EPHX2 (0.38) HDAC4EPHX2RAB9A
SCHEMBL9939786 0.81 RXFP1 (0.39) HDAC4SMN1; SMN2RAB9ANPC1PDE4B
SCHEMBL9939784 0.81 MEN1 (0.38) MCHR1RAB9ANPC1GRM5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9370507-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2016-06-21 US disclosed
EP-2648710-B1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2016-06-15 EP disclosed
US-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-11-26 US disclosed
US-9000014-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-04-07 US disclosed
WO-2012078869-A1 PYRIDONYL 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-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B TAS1R3 4420/4885TAS1R1 4042/4885TAS1R2 4433/4885

“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.