SCHEMBL1152792

SCHEMBL1152792

O=C1C(O)=C(C2CCC(C(F)(F)F)CC2)C(=O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TP53 P04637 2/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HIF1A Q16665 1/20 0.48
APAF1 O14727 1/20 0.44
TDP2 O95551 1/20 0.44
CDC25B P30305 2/20 0.40
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
P2RX7 Q99572 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DHODH Q02127 2/20 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
SCHEMBL917366 0.85 CDC25B (0.56) MAPTMEN1KMT2ATP53USP2
SCHEMBL1542903 0.85 CDC25B (0.56) MAPTMEN1KMT2ATP53USP2
SCHEMBL1151720 0.85 CDC25B (0.56) MAPTMEN1KMT2ATP53USP2
SCHEMBL1152475 0.83 MAPT (0.51) MAPTMEN1KMT2ATP53USP2
SCHEMBL9857346 0.80 APAF1 (0.54) MAPTMEN1KMT2ATP53USP2
SCHEMBL1152737 0.80 MAPT (0.44) MAPTMEN1KMT2ATP53USP2
SCHEMBL8444855 0.80 CDC25B (0.45) MAPTMEN1KMT2ATP53USP2
SCHEMBL8136452 0.80 MAPT (0.51) MAPTMEN1KMT2ATP53USP2
SCHEMBL9857552 0.80 MAPT (0.62) MAPTMEN1KMT2ATP53USP2
Parvaquone SCHEMBL916441 0.79 APAF1 (0.52) MAPTMEN1KMT2ATP53USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2013-10-31 US disclosed
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 US disclosed
US-5175319-A Antiprotozoa agent, useful for treating malaria, theileriosis, coccidiosis and prophylaxix BURROUGHS WELLCOME CO. (US) 1992-12-29 US disclosed
US-5053432-A Antiprotozoa agents; treatment of malaria BURROUGHS WELLCOME CO. (US) 1991-10-01 US disclosed
EP-0123238-B1 NAPHTHOQUINONE DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1987-06-10 EP disclosed
EP-0123238-A2 Naphthoquinone derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1984-10-31 EP 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-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS MAPT 1583/4885MEN1 3612/4885KMT2A 3886/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS MAPT 1583/4885MEN1 3612/4885KMT2A 3886/4885

“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.