SCHEMBL1801199

SCHEMBL1801199

COC(=O)c1cc(CC(C)C)ccc1NC(=O)COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.64
NPC1 O15118 1/20 0.53
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
USP2 O75604 1/20 0.45
CACNA2D1 P54289 6/20 0.43
CACNA1B Q00975 6/20 0.43
CACNB1 Q02641 6/20 0.43
CACNA1C Q13936 4/20 0.42
CACNA1G O43497 3/20 0.42
HIF1A Q16665 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
CACNA1H O95180 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1799764 0.93 SERPINE1 (0.74) SERPINE1NPC1CYP3A4CYP2D6USP2
SCHEMBL1797982 0.92 SERPINE1 (0.73) SERPINE1NPC1CYP3A4CYP2D6USP2
SCHEMBL1797977 0.91 SERPINE1 (0.63) SERPINE1NPC1CYP3A4CYP2D6USP2
SCHEMBL1796970 0.90 SERPINE1 (0.65) SERPINE1NPC1CYP3A4CYP2D6USP2
SCHEMBL1796988 0.87 SERPINE1 (0.67) SERPINE1NPC1CYP3A4CYP2D6USP2
SCHEMBL1798806 0.87 SERPINE1 (0.67) SERPINE1NPC1CYP3A4CYP2D6USP2
SCHEMBL1798258 0.87 SERPINE1 (0.67) SERPINE1NPC1CYP3A4CYP2D6USP2
SCHEMBL1798810 0.87 SERPINE1 (0.84) SERPINE1NPC1CYP3A4CYP2D6USP2
SCHEMBL1801549 0.86 SERPINE1 (0.62) SERPINE1NPC1CYP3A4CYP2D6USP2
SCHEMBL1796940 0.85 SERPINE1 (0.63) SERPINE1NPC1CYP3A4CYP2D6USP2

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
US-7951806-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2011-05-31 US disclosed
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2009-05-14 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-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 SERPINE1 1/4885NPC1 1319/4885CYP3A4 4223/4885

“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.