SCHEMBL1379874

SCHEMBL1379874

CC(=O)NCCc1c(C(C2=C(O)C(c3ccccc3)CC2=O)c2ccccc2)[nH]c2ccc(C)cc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.49
MTNR1B P49286 13/20 0.49
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.41
CYP19A1 P11511 1/20 0.41
EGFR P00533 1/20 0.40
CDK2 P24941 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL1379412 0.91 MTNR1A (0.59) MTNR1AMTNR1BALDH1A1CYP19A1KDM4E
SCHEMBL1376806 0.90 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2
SCHEMBL4759753 0.90 MTNR1A (0.64) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2
SCHEMBL4501189 0.87 MAPT (0.43) LMNAMAPTHTTALDH1A1CYP19A1
SCHEMBL1378443 0.86 MTNR1A (0.47) MTNR1AMTNR1BCYP19A1CYP1A2CYP3A4
SCHEMBL4500628 0.85 MTNR1A (0.47) MTNR1AMTNR1BMAPTALDH1A1CYP19A1
SCHEMBL4506993 0.85 MTNR1A (0.55) MTNR1AMTNR1BALDH1A1CYP19A1KDM4E
SCHEMBL8239481 0.84 MTNR1A (0.51) MTNR1AMTNR1BLMNAALDH1A1KDM4E
SCHEMBL4511745 0.83 MTNR1A (0.52) MTNR1AMTNR1BLMNAMAPTHTT
SCHEMBL4485409 0.81 MTNR1A (0.49) MTNR1AMTNR1BMAPTALDH1A1KDM4E

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
JP-4824092-B2 2011-11-24 JP claimed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US claimed
EP-1957483-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP claimed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO claimed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US claimed
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 756/4885LMNA 2861/4885

“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.