SCHEMBL20798243

SCHEMBL20798243

O=C(CC1CCC(F)(F)CC1)NCC(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
ABL1 P00519 1/20 0.35
HSD17B13 Q7Z5P4 1/20 0.34
IL1B P01584 4/20 0.34
P2RX7 Q99572 3/20 0.34
EPHX2 P34913 4/20 0.34
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
MAPT P10636 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL20798251 0.92 FFAR4 (0.36) ALDH1A1LMNAHTTABL1IL1B
SCHEMBL20798320 0.90 ALDH1A1 (0.35) ALDH1A1IL1BP2RX7EPHX2TSHR
SCHEMBL23406989 0.88 GPR6 (0.42) PTGDR2
SCHEMBL20798256 0.87 ALDH1A1 (0.46) ALDH1A1EPHX2TSHRMAPK1PTGDR2
SCHEMBL23407034 0.87 FFAR4 (0.41) ALDH1A1LMNAIL1BP2RX7PTGDR2
SCHEMBL23434986 0.87 ALDH1A1 (0.33) ALDH1A1LMNAIL1BP2RX7EPHX2
SCHEMBL20798254 0.86 MEN1 (0.40) ALDH1A1LMNATSHRMAPK1PTGDR2
SCHEMBL23407048 0.85 POLB (0.38) ALDH1A1HTTSMN1; SMN2
SCHEMBL20798226 0.84 CCR2 (0.39) ALDH1A1EPHX2TSHRMAPK1MAPT
SCHEMBL20798213 0.84 DRD2 (0.37) IL1BP2RX7EPHX2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11629139-B2 Small molecule inhibitors of Ebola and Lassa fever viruses and methods of use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-18 US disclosed
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2021-06-03 US disclosed
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2021-06-03 US disclosed
WO-2019051396-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-03-14 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 (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-11629139-B2 Small molecule inhibitors of Ebola and Lassa fever viruses and methods of use CCR8, RPS8, HDHD5 ALDH1A1 3354/4885LMNA 1798/4885HTT 3394/4885
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE CCR8, RPS8, HDHD5 ALDH1A1 3354/4885LMNA 1798/4885HTT 3394/4885

“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.