Sugi Predict

Sugi Predict / Compounds / SCHEMBL4487519

SCHEMBL4487519

SCHEMBL4487519

CC(=O)N(C)CCc1c(C(C2=C(O)C(Cc3ccccc3)OC2=O)c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 5/20 0.39
▸ MTNR1B P49286 5/20 0.39
▸ CYP19A1 P11511 6/20 0.37
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTR6 P50406 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ HTR1F P30939 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL4502286 0.85 MTNR1A (0.58) MTNR1AMTNR1BCYP19A1MEN1KMT2A
SCHEMBL4502803 0.76 PARP1 (0.33) MTNR1AMTNR1BCYP19A1MEN1KMT2A
SCHEMBL1379141 0.76 MTNR1A (0.47) MTNR1AMTNR1BCYP19A1MEN1KMT2A
SCHEMBL4508866 0.76 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL4500198 0.76 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL4487207 0.76 MTNR1A (0.49) MTNR1AMTNR1BCYP19A1MEN1KMT2A
SCHEMBL1379124 0.76 CYP19A1 (0.34) MTNR1AMTNR1BCYP19A1MEN1KMT2A
SCHEMBL1376629 0.75 TOP1 (0.36) MTNR1AMTNR1BCYP19A1MEN1KMT2A
SCHEMBL1376767 0.75 MTNR1A (0.58) MTNR1AMTNR1BCYP19A1ALDH1A1MEN1
SCHEMBL4491345 0.75 MTNR1A (0.40) MTNR1AMTNR1BCYP19A1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 — — US disclosed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 — — US disclosed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 — — US disclosed
EP-1957483-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 — — EP disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 — — WO disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 — — WO disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 — — US disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 — — US disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 — — 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-20070129421-A1 Vinylogous acid derivatives CMA1, TPSG1, TPSAB1 MTNR1A 454/4885MTNR1B 756/4885CYP19A1 1030/4885

“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.