SCHEMBL18164010

SCHEMBL18164010

Cc1cc(C(F)(F)F)nn1C1CCN(CC(C)C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
APAF1 O14727 1/20 0.39
KDM5A P29375 1/20 0.37
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NR3C2 P08235 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
CCR1 P32246 2/20 0.34
ALDH1A1 P00352 1/20 0.33
FPR1 P21462 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL18164030 0.93 LMNA (0.40) GAALMNAPOLBAPAF1KDM5A
SCHEMBL19954593 0.89 GAA (0.35) GAALMNAPOLBAPAF1KDM5A
SCHEMBL18164060 0.86 GAA (0.39) GAALMNAKDM5ANR3C2USP2
SCHEMBL18164063 0.84 GAA (0.44) GAALMNAPOLBKDM5AKDM4E
SCHEMBL19954576 0.82 HTR2A (0.38) GAALMNAPOLBAPAF1HTR2A
SCHEMBL18163946 0.81 GAA (0.43) GAALMNAPOLBKDM5AKDM4E
SCHEMBL18164009 0.81 GAA (0.39) GAALMNAPOLBKDM5AKDM4E
SCHEMBL18164008 0.79 GAA (0.38) GAALMNAKDM5AUSP2
SCHEMBL18161154 0.77 APAF1 (0.45) LMNAPOLBAPAF1KDM5AHTR2A
SCHEMBL18163941 0.76 KDM5A (0.45) GAALMNAKDM5ANR3C2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080087-B1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2019-05-22 EP disclosed
US-20160304464-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2016-10-20 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 (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-20160304464-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D GAA 202/4885LMNA 3599/4885POLB 1222/4885

“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.