SCHEMBL4492602

SCHEMBL4492602

CC(C)C1NC(=O)C(C(c2ccccc2)c2[nH]c3ccccc3c2CCNC(=O)c2ccccc2)=C1O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.49
MTNR1B P49286 6/20 0.49
CYP19A1 P11511 7/20 0.44
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4498277 0.91 MTNR1A (0.61) MTNR1AMTNR1BCYP19A1TDP1MEN1
SCHEMBL4491558 0.90 CYP19A1 (0.46) MTNR1AMTNR1BCYP19A1
SCHEMBL4499087 0.85 CYP19A1 (0.42) MTNR1AMTNR1BCYP19A1KDM4EALDH1A1
SCHEMBL4505261 0.84 MTNR1A (0.52) MTNR1AMTNR1BCYP19A1TDP1MEN1
SCHEMBL4490559 0.84 CYP19A1 (0.42) MTNR1AMTNR1BCYP19A1
SCHEMBL4510000 0.82 MTNR1A (0.52) MTNR1AMTNR1BCYP19A1TDP1MEN1
SCHEMBL4498964 0.82 MTNR1A (0.42) MTNR1AMTNR1BCYP19A1MEN1KMT2A
SCHEMBL4492613 0.82 MTNR1A (0.52) MTNR1AMTNR1BCYP19A1TDP1MEN1
SCHEMBL4490551 0.81 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1MAPTMEN1
SCHEMBL8230415 0.79 CYP19A1 (0.57) CYP19A1

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.