SCHEMBL1376601

SCHEMBL1376601

CCc1ccc2c(CCN)c(C(C3=C(O)C(c4ccccc4)CC3=O)c3ccccc3)[nH]c2c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.33
TOP1 P11387 2/20 0.33
TOP2A P11388 2/20 0.33
LMNA P02545 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTR6 P50406 1/20 0.32
CYP19A1 P11511 2/20 0.32
MAPT P10636 2/20 0.31
HTT P42858 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL4500628 0.88 MTNR1A (0.47) ALDH1A1HPGDCYP19A1MAPTMTNR1A
SCHEMBL4501189 0.84 MAPT (0.43) KIF11LMNAALDH1A1HTR6CYP19A1
SCHEMBL4493012 0.83 KIF11 (0.34) KIF11TOP1TOP2AALDH1A1HTR6
SCHEMBL1376806 0.81 MTNR1A (0.47) ALDH1A1HPGDMTNR1AMTNR1B
SCHEMBL4500952 0.77 PIM1 (0.39) CYP19A1
SCHEMBL1378443 0.77 MTNR1A (0.47) HPGDCYP19A1MTNR1AMTNR1B
SCHEMBL4506993 0.76 MTNR1A (0.55) ALDH1A1HPGDCYP19A1MTNR1AMTNR1B
SCHEMBL1379412 0.76 MTNR1A (0.59) ALDH1A1HPGDCYP19A1MTNR1AMTNR1B
SCHEMBL1379874 0.72 MTNR1A (0.49) LMNAALDH1A1HPGDCYP19A1MAPT
SCHEMBL8239481 0.71 MTNR1A (0.51) LMNAALDH1A1HPGDSLC6A4MTNR1A

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 KIF11 4053/4885TOP1 2125/4885TOP2A 2976/4885

“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.