SCHEMBL1152193

SCHEMBL1152193

COc1ccc(C2(Cn3ccnc3)OCC(COc3ccc(N4CCOCC4)cc3)O2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 18/20 0.57
CYP21A2 P08686 16/20 0.57
CYP19A1 P11511 15/20 0.57
CYP17A1 P05093 15/20 0.57
CYP11B1 P15538 13/20 0.57
USP2 O75604 2/20 0.57
MAPT P10636 2/20 0.57
MAPK1 P28482 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
MEN1 O00255 1/20 0.57
SLC22A1 O15245 1/20 0.57
ABCC4 O15439 1/20 0.57
CYP27B1 O15528 1/20 0.57
CYP26A1 O43174 1/20 0.57
NR1I2 O75469 1/20 0.57
GMNN O75496 1/20 0.57
ABCB11 O95342 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL1152419 0.93 CYP3A4 (0.57) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
SCHEMBL11074532 0.92 CYP3A4 (0.58) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
SCHEMBL11210140 0.89 CYP3A4 (0.72) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
SCHEMBL11386140 0.89 CYP3A4 (0.52) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
SCHEMBL11386143 0.89 CYP3A4 (0.52) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
SCHEMBL11381238 0.88 CYP3A4 (0.51) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
SCHEMBL11389073 0.88 CYP3A4 (0.51) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
SCHEMBL1153076 0.87 CYP3A4 (0.57) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
SCHEMBL11215536 0.87 CYP3A4 (0.63) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
SCHEMBL11377173 0.87 CYP3A4 (0.49) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1

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 8 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-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 US disclosed
US-4358449-A 1-(1,3-Dioxolan-2-ylmethyl)-1H-1,2,4-triazoles and compositions JANSSEN PHARMACEUTICA, N.V. (BE) 1982-11-09 US disclosed
US-4335125-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1982-06-15 US disclosed
US-4223036-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-09-16 US disclosed
US-4144346-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1979-03-13 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 (3 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 CYP3A4 4074/4885CYP21A2 3395/4885CYP19A1 4479/4885
US-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 CYP3A4 1741/4885CYP21A2 1442/4885CYP19A1 1671/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS CYP3A4 4074/4885CYP21A2 3395/4885CYP19A1 4479/4885

“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.