SCHEMBL4490551

SCHEMBL4490551

CC(C)C1NC(=O)C(C(c2ccccc2)c2[nH]c3ccccc3c2CC(N)=O)=C1O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
CYP19A1 P11511 2/20 0.37
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
ESR1 P03372 4/20 0.35
ESR2 Q92731 4/20 0.35
HPGD P15428 2/20 0.35
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL4490559 0.87 CYP19A1 (0.42) MTNR1AMTNR1BCYP19A1
SCHEMBL4499087 0.86 CYP19A1 (0.42) MTNR1AMTNR1BCYP19A1KDM4EALDH1A1
SCHEMBL4498964 0.83 MTNR1A (0.42) MTNR1AMTNR1BCYP19A1KDM4EALDH1A1
SCHEMBL4498277 0.83 MTNR1A (0.61) MTNR1AMTNR1BCYP19A1KDM4EALDH1A1
SCHEMBL1379087 0.82 DAO (0.41) MTNR1AMTNR1BCYP19A1KDM4EALDH1A1
SCHEMBL4492602 0.81 MTNR1A (0.49) MTNR1AMTNR1BCYP19A1KDM4EALDH1A1
SCHEMBL4505261 0.76 MTNR1A (0.52) MTNR1AMTNR1BCYP19A1KMT2AMEN1
SCHEMBL4499201 0.75 MEN1 (0.38) MTNR1AMTNR1BCYP19A1ALDH1A1KMT2A
SCHEMBL8230415 0.74 CYP19A1 (0.57) CYP19A1
SCHEMBL4510000 0.74 MTNR1A (0.52) MTNR1AMTNR1BCYP19A1KDM4EKMT2A

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 4 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
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
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.