SCHEMBL4487207

SCHEMBL4487207

CC(=O)NCCc1c(C(C2=C(O)C(Cc3ccccc3)OC2=O)c2ccccc2F)[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.49
MTNR1B P49286 11/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP19A1 P11511 4/20 0.38
TOP1 P11387 1/20 0.37
TOP2A P11388 1/20 0.37
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36

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 0.90 MTNR1A (0.58) MTNR1AMTNR1BMEN1KMT2ACYP1A2
SCHEMBL4491564 0.85 MTNR1A (0.53) MTNR1AMTNR1BMEN1KMT2ACYP1A2
SCHEMBL4502395 0.84 MTNR1A (0.52) MTNR1AMTNR1BMEN1KMT2ACYP1A2
SCHEMBL4504650 0.84 MTNR1A (0.52) MTNR1AMTNR1BMEN1KMT2ACYP1A2
SCHEMBL1379141 0.84 MTNR1A (0.47) MTNR1AMTNR1BMEN1KMT2ACYP1A2
SCHEMBL4500198 0.84 MTNR1A (0.47) MTNR1AMTNR1BMEN1KMT2ACYP1A2
SCHEMBL4501352 0.84 MTNR1A (0.52) MTNR1AMTNR1BMEN1KMT2ACYP1A2
SCHEMBL4493301 0.82 MTNR1A (0.50) MTNR1AMTNR1BMEN1KMT2ACYP1A2
SCHEMBL4508866 0.81 MTNR1A (0.48) MTNR1AMTNR1BMEN1KMT2ACYP1A2
SCHEMBL1376767 0.80 MTNR1A (0.58) MTNR1AMTNR1BMEN1KMT2ACYP1A2

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 756/4885MEN1 713/4885

“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.