SCHEMBL3280740

SCHEMBL3280740

CC(=O)NCc1c(C(C2=C(O)C(C)(c3ccccc3)C2=O)c2ccccc2)[nH]c2cc(C)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.38
MTNR1B P49286 5/20 0.38
CYP19A1 P11511 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EGFR P00533 1/20 0.33
TP53 P04637 3/20 0.33
MAPT P10636 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MLKL Q8NB16 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL3280705 0.97 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1SMN1; SMN2KDM4E
SCHEMBL3284735 0.91 MTNR1A (0.37) MTNR1AMTNR1BCYP19A1TP53MAPT
SCHEMBL3280580 0.90 MTNR1A (0.45) MTNR1AMTNR1BCYP19A1KDM4EEGFR
SCHEMBL4510087 0.87 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1SMN1; SMN2KDM4E
SCHEMBL4492145 0.87 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1SMN1; SMN2KDM4E
SCHEMBL4492136 0.87 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1SMN1; SMN2KDM4E
SCHEMBL3284276 0.86 CYP19A1 (0.34) MTNR1AMTNR1BCYP19A1KDM4EEGFR
SCHEMBL4499073 0.86 MTNR1A (0.37) MTNR1AMTNR1BCYP19A1SMN1; SMN2KDM4E
SCHEMBL4499068 0.86 MTNR1A (0.37) MTNR1AMTNR1BCYP19A1SMN1; SMN2KDM4E
SCHEMBL8203579 0.84 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705034-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-27 US claimed
EP-2074090-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-01 EP claimed
US-20080096953-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2008-04-24 US claimed
WO-2008043698-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-17 WO claimed
US-7705034-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-27 US disclosed
EP-2074090-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-01 EP disclosed
US-20080096953-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2008-04-24 US disclosed
WO-2008043698-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-17 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 (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-20080096953-A1 Vinylogous acid derivatives CMA1, TPSG1, GAA MTNR1A 1303/4885MTNR1B 1821/4885CYP19A1 1050/4885

“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.