SCHEMBL19954594

SCHEMBL19954594

CC(C)c1cc(C(F)(F)F)nn1C1CCN(C(=O)Oc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM5A P29375 2/20 0.40
PDE4B Q07343 1/20 0.39
CHRNA7 P36544 1/20 0.39
HTR3A P46098 1/20 0.39
USP30 Q70CQ3 1/20 0.39
NPY2R P49146 3/20 0.39
LIPE Q05469 4/20 0.38
MGLL Q99685 1/20 0.38
XIAP P98170 1/20 0.38
BIRC2 Q13490 1/20 0.38

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
SCHEMBL18164086 0.88 GAA (0.47) GAANPC1RAB9APDE4BCHRNA7
SCHEMBL18161161 0.85 GAA (0.49) GAANPC1RAB9AKDM5APDE4B
SCHEMBL19954626 0.85 KDM4E (0.43) KDM5A
SCHEMBL19954601 0.81 KDM5A (0.38) KDM5A
SCHEMBL19954568 0.80 IRAK4 (0.38) GAAKDM5A
SCHEMBL19954630 0.76 NR3C2 (0.36) GAAKDM5A
SCHEMBL19954655 0.75 GAA (0.36) GAA
SCHEMBL19954637 0.74 ALDH1A1 (0.34)
SCHEMBL21023784 0.74 NR3C2 (0.36) GAA
SCHEMBL19954579 0.73 NR3C2 (0.36) GAA

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 GAA 202/4885NPC1 1109/4885RAB9A 359/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D GAA 202/4885NPC1 1109/4885RAB9A 359/4885

“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.