SCHEMBL1796607

SCHEMBL1796607

COC(=O)c1cc(Cl)ccc1NC(=O)COCC(=O)N1CCC(c2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ OPRD1 P41143 2/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ MAPT P10636 5/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TP53 P04637 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ TSHR P16473 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
SCHEMBL1798325 0.92 SERPINE1 (0.69) SERPINE1SMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL1796489 0.91 SERPINE1 (0.68) SERPINE1SMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL1796486 0.89 SERPINE1 (0.58) SERPINE1SMN1; SMN2ALDH1A1GAACYP1A2
SCHEMBL1798810 0.83 SERPINE1 (0.84) SERPINE1CYP3A4
SCHEMBL1798483 0.81 CYP2C9 (0.58) SERPINE1SMN1; SMN2ALDH1A1GAACYP1A2
SCHEMBL1800112 0.80 SERPINE1 (0.56) SERPINE1SMN1; SMN2ALDH1A1GAACYP1A2
SCHEMBL1796028 0.80 SERPINE1 (0.61) SERPINE1SMN1; SMN2ALDH1A1GAACYP1A2
SCHEMBL1015370 0.77 KDM4E (0.60) SERPINE1SMN1; SMN2ALDH1A1GAACYP1A2
SCHEMBL1798779 0.77 SERPINE1 (0.62) SERPINE1SMN1; SMN2ALDH1A1GAACYP1A2
SCHEMBL1794335 0.77 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1GAACYP1A2CYP3A4

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 1/4885SMN1; SMN2 1590/4885ALDH1A1 800/4885

“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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