SCHEMBL1799666

SCHEMBL1799666

O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Br)cc1C(=O)O.[NaH]

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.78
NPC1 O15118 1/20 0.57
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CACNA2D1 P54289 5/20 0.45
CACNA1B Q00975 5/20 0.45
CACNB1 Q02641 5/20 0.45
CACNA1C Q13936 2/20 0.45
CACNA1H O95180 1/20 0.45
CACNA1G O43497 1/20 0.43
USP2 O75604 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL1796138 0.99 SERPINE1 (0.79) SERPINE1NPC1MEN1KMT2ACACNA2D1
SCHEMBL1798528 0.93 SERPINE1 (0.69) SERPINE1NPC1MEN1KMT2ACACNA2D1
SCHEMBL1795766 0.91 SERPINE1 (0.70) SERPINE1NPC1MEN1KMT2ACACNA2D1
SCHEMBL1799665 0.91 SERPINE1 (0.67) SERPINE1NPC1MEN1KMT2ACACNA2D1
SCHEMBL1798806 0.91 SERPINE1 (0.67) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL1799860 0.89 SERPINE1 (0.98) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL17530231 0.89 SERPINE1 (0.78) SERPINE1NPC1MEN1KMT2ACACNA2D1
SCHEMBL1794879 0.88 SERPINE1 (0.79) SERPINE1NPC1MEN1KMT2ACACNA2D1
SCHEMBL1798984 0.88 SERPINE1 (1.00) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL1798777 0.88 SERPINE1 (0.79) SERPINE1NPC1MEN1KMT2ACACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2990057-A1 NOVEL USE FOR PAI-1 INHIBITOR Renascience Co., Ltd. (JP) 2016-03-02 EP disclosed
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 1319/4885MEN1 582/4885

“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.