SCHEMBL19954520

SCHEMBL19954520

CC(=O)N1CCC(n2nc(C(F)(F)F)cc2C(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 9/20 0.39
NR3C2 P08235 1/20 0.36
IDH1 O75874 1/20 0.35
EPHX2 P34913 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LRRK2 Q5S007 1/20 0.35
IDO1 P14902 1/20 0.34
TACR1 P25103 2/20 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
SCHEMBL19954601 0.88 KDM5A (0.38) KDM5ANR3C2ALDH1A1MAPTTHRB
SCHEMBL19954568 0.87 IRAK4 (0.38) KDM5ANR3C2ALDH1A1MAPTTHRB
SCHEMBL19954626 0.85 KDM4E (0.43) KDM5AIDH1ALDH1A1MAPTTHRB
SCHEMBL18163932 0.84 KDM5A (0.43) KDM5ANR3C2IDH1EPHX2LRRK2
SCHEMBL19954599 0.83 NR3C2 (0.39) NR3C2ALDH1A1MAPTTHRBHPGD
SCHEMBL19954594 0.83 GAA (0.46) KDM5A
SCHEMBL18161145 0.83 KDM5A (0.52) KDM5A
SCHEMBL19954630 0.82 NR3C2 (0.36) KDM5ANR3C2ALDH1A1MAPTTHRB
SCHEMBL19954569 0.82 PKM (0.41) NR3C2EPHX2ALDH1A1MAPTTHRB
SCHEMBL19954655 0.81 GAA (0.36) NR3C2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392350-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2019-08-27 US disclosed
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION 2018-08-09 US disclosed
US-9914706-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-13 US 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 (2 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-10392350-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof ATP5F1A, ATP5ME, ATP5F1D KDM5A 2043/4885NR3C2 4324/4885IDH1 641/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D KDM5A 2043/4885NR3C2 4324/4885IDH1 641/4885

“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.