SCHEMBL1798483

SCHEMBL1798483

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ SERPINE1 P05121 1/20 0.57
▸ GRM5 P41594 3/20 0.53
▸ MAPT P10636 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ NPSR1 Q6W5P4 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ HTT P42858 1/20 0.48
▸ TSHR P16473 4/20 0.47
▸ USP2 O75604 1/20 0.47
▸ AKR1C3 P42330 1/20 0.46
▸ MEN1 O00255 1/20 0.46

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
SCHEMBL1795619 0.90 SERPINE1 (0.69) CYP2C9CYP2C19CYP1A2CYP3A4SERPINE1
SCHEMBL1797316 0.89 SERPINE1 (0.68) CYP2C9CYP2C19CYP1A2CYP3A4SERPINE1
SCHEMBL1797310 0.88 SERPINE1 (0.57) CYP2C9CYP2C19CYP1A2CYP3A4SERPINE1
SCHEMBL1798810 0.82 SERPINE1 (0.84) CYP3A4SERPINE1USP2
SCHEMBL1800112 0.81 SERPINE1 (0.56) CYP2C9CYP2C19CYP1A2CYP3A4SERPINE1
SCHEMBL1796607 0.81 SERPINE1 (0.58) CYP2C9CYP2C19CYP1A2CYP3A4SERPINE1
SCHEMBL1799657 0.81 SERPINE1 (0.70) CYP2C9CYP2C19CYP1A2CYP3A4SERPINE1
SCHEMBL1797516 0.79 ALDH1A1 (0.50) CYP2C9CYP2C19CYP1A2CYP3A4MAPT
SCHEMBL1015370 0.78 KDM4E (0.60) CYP2C9CYP2C19CYP1A2CYP3A4SERPINE1
SCHEMBL1796028 0.77 SERPINE1 (0.61) CYP2C9CYP2C19CYP1A2CYP3A4SERPINE1

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 CYP2C9 4023/4885CYP2C19 3450/4885CYP1A2 3135/4885

“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.

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