SCHEMBL1799657

SCHEMBL1799657

COC(=O)c1cc(Cl)ccc1NC(=O)COCC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.70
NPC1 O15118 1/20 0.44
GPX4 P36969 2/20 0.43
CACNA2D1 P54289 7/20 0.42
CACNB1 Q02641 7/20 0.42
CACNA1B Q00975 6/20 0.42
CACNA1C Q13936 5/20 0.42
CACNA1G O43497 3/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL1797786 0.91 SERPINE1 (0.84) SERPINE1NPC1GPX4CACNA2D1CACNB1
SCHEMBL1798810 0.91 SERPINE1 (0.84) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL1796988 0.88 SERPINE1 (0.67) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL1798420 0.86 SERPINE1 (0.63) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL1799721 0.84 SERPINE1 (0.75) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL1795525 0.83 SERPINE1 (0.61) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL1798984 0.83 SERPINE1 (1.00) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL29351719 0.82 SERPINE1 (0.98) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL1799860 0.82 SERPINE1 (0.98) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL1798828 0.81 SERPINE1 (0.59) SERPINE1NPC1CACNA2D1CACNB1CACNA1B

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 1319/4885GPX4 1029/4885

“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.