SCHEMBL2963509

SCHEMBL2963509

CSc1cccc2c(O)ccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMD14 O00487 2/20 0.45
▸ HTT P42858 4/20 0.43
▸ SLC6A2 P23975 2/20 0.43
▸ KDM4E B2RXH2 8/20 0.42
▸ LMNA P02545 5/20 0.42
▸ MAPT P10636 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ ALOX12 P18054 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ L3MBTL1 Q9Y468 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ KDM4A O75164 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.40
▸ HIF1AN Q9NWT6 1/20 0.40
▸ HSP90AA1 P07900 3/20 0.40
▸ IDO1 P14902 3/20 0.40
▸ MPI P34949 1/20 0.40
▸ BRD4 O60885 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
SCHEMBL4364047 0.79 KDM4E (0.49) PSMD14HTTSLC6A2KDM4ELMNA
SCHEMBL18539683 0.77 PSMD14 (0.77) PSMD14KDM4ELMNAL3MBTL1RAB9A
SCHEMBL1333120 0.77 KDM4E (0.66) HTTSLC6A2KDM4ELMNAMAPT
SCHEMBL30668494 0.77 KDM4E (0.66) HTTSLC6A2KDM4ELMNAMAPT
SCHEMBL13409385 0.76 PSMD14 (0.40) PSMD14HTTSLC6A2LMNATSHR
SCHEMBL13201607 0.76 SLC40A1 (0.47) PSMD14MEN1KMT2AL3MBTL1HSP90AA1
SCHEMBL5540649 0.76 HTR1A (0.56) PSMD14HTTSLC6A2KDM4ELMNA
SCHEMBL29661831 0.73 HSP90AA1 (0.48) PSMD14HTTSLC6A2KDM4ELMNA
SCHEMBL22288159 0.73 HSP90AA1 (0.48) PSMD14HTTSLC6A2KDM4ELMNA
SCHEMBL15700756 0.73 HTT (0.37) PSMD14HTTSLC6A2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767818-B2 Hepatitis C inhibitor dipeptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-03 — — US disclosed
US-7767818-B2 Hepatitis C inhibitor dipeptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-03 — — US disclosed
US-7767818-B2 Hepatitis C inhibitor dipeptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-03 — — US disclosed
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 — — US disclosed
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 — — US disclosed
US-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 — — US disclosed
US-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 — — US disclosed
US-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 — — US disclosed
US-7511157-B2 racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 — — US disclosed
US-7511157-B2 racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 — — US disclosed
US-7511157-B2 racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 — — US disclosed
US-20060046965-A1 Hepatitis C inhibitor dipeptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-02 — — US disclosed
WO-2006007700-A1 HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 — — WO disclosed
WO-2006000085-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-05 — — WO 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 (2 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-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs DPP3, CTSC, ANPEP PSMD14 2840/4885HTT 3436/4885SLC6A2 4423/4885
US-20060046965-A1 Hepatitis C inhibitor dipeptide analogs DPP3, CTSC, ANPEP PSMD14 2840/4885HTT 3436/4885SLC6A2 4423/4885

“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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