SCHEMBL12110672

SCHEMBL12110672

COc1ccc(-n2c(S)nnc2-c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.69
GLA P06280 1/20 0.68
AVPR1A P37288 2/20 0.54
AVPR2 P30518 1/20 0.54
NPSR1 Q6W5P4 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
USP2 O75604 2/20 0.52
TSHR P16473 2/20 0.52
HPGD P15428 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 4/20 0.49
GAA P10253 2/20 0.48
MAPK1 P28482 2/20 0.48
ADORA1 P30542 1/20 0.48
CYP3A4 P08684 1/20 0.47
RAB9A P51151 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HCRTR1 O43613 1/20 0.46

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
SCHEMBL1104405 0.94 OXTR (0.65) OXTRGLAAVPR1AAVPR2NPSR1
SCHEMBL10012186 0.92 OXTR (0.61) OXTRGLAAVPR1AAVPR2NPSR1
SCHEMBL6402514 0.88 OXTR (0.57) OXTRGLAAVPR1AAVPR2NPSR1
SCHEMBL11919913 0.87 OXTR (0.52) OXTRGLAAVPR1AAVPR2USP2
SCHEMBL10012843 0.85 OXTR (0.55) OXTRGLAAVPR1AAVPR2MEN1
SCHEMBL6406225 0.85 OXTR (0.55) OXTRGLAAVPR1AAVPR2NPSR1
SCHEMBL10011605 0.85 GLA (0.72) OXTRGLAAVPR1AAVPR2NPSR1
SCHEMBL10012626 0.85 GLA (0.72) OXTRGLAAVPR1AAVPR2NPSR1
SCHEMBL6407017 0.85 MEN1 (0.60) OXTRGLAMEN1KMT2ATSHR
SCHEMBL1104395 0.84 AVPR1A (0.59) OXTRGLAAVPR1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846277-B2 Compound, polymerizable composition, color filter, and method of producing the same, solid-state imaging device, and planographic printing plate precursor FUJIFILM CORPORATION (JP) 2014-09-30 US disclosed
US-8846277-B2 Compound, polymerizable composition, color filter, and method of producing the same, solid-state imaging device, and planographic printing plate precursor FUJIFILM CORPORATION (JP) 2014-09-30 US disclosed
US-8728686-B2 Photosensitive compositions, curable compositions, novel compounds, photopolymerizable compositions, color filters, and planographic printing plate precursors FUJIFILM CORPORATION (JP) 2014-05-20 US disclosed
US-8728686-B2 Photosensitive compositions, curable compositions, novel compounds, photopolymerizable compositions, color filters, and planographic printing plate precursors FUJIFILM CORPORATION (JP) 2014-05-20 US disclosed
US-8703366-B2 2014-04-22 US disclosed
US-8703366-B2 2014-04-22 US disclosed
US-20110267714-A1 NOVEL COMPOUND, POLYMERIZABLE COMPOSITION, COLOR FILTER, AND METHOD OF PRODUCING THE SAME, SOLID-STATE IMAGING DEVICE, AND PLANOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2011-11-03 US disclosed
US-20110267714-A1 NOVEL COMPOUND, POLYMERIZABLE COMPOSITION, COLOR FILTER, AND METHOD OF PRODUCING THE SAME, SOLID-STATE IMAGING DEVICE, AND PLANOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2011-11-03 US disclosed
EP-2141206-A1 Novel compound, polymerizable composition, color filter and production method thereof, solid-state imaging device, and planographic printing plate precursor FUJIFILM Corporation (JP) 2010-01-06 EP disclosed
EP-2105443-A1 Oxime derivatives and their use in photopolymerizable compositions for colour filters FUJIFILM Corporation (JP) 2009-09-30 EP disclosed
US-20090023085-A1 Photosensitive Compositions, Curable Compositions, Novel Compounds, Photopolymerizable Compositions, Color Filters, and Planographic Printing Plate Precursors FUJIFILM CORPORATION (JP) 2009-01-22 US disclosed
US-20090023085-A1 Photosensitive Compositions, Curable Compositions, Novel Compounds, Photopolymerizable Compositions, Color Filters, and Planographic Printing Plate Precursors FUJIFILM CORPORATION (JP) 2009-01-22 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 (2 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-20110267714-A1 NOVEL COMPOUND, POLYMERIZABLE COMPOSITION, COLOR FILTER, AND METHOD OF PRODUCING THE SAME, SOLID-STATE IMAGING DEVICE, AND PLANOGRAPHIC PRINTING PLATE PRECURSOR SPOP, SMCHD1, PPOX OXTR 3022/4885GLA 49/4885AVPR1A 4458/4885
US-20090023085-A1 Photosensitive Compositions, Curable Compositions, Novel Compounds, Photopolymerizable Compositions, Color Filters, and Planographic Printing Plate Precursors RB1, MC1R, TYR OXTR 4015/4885GLA 1693/4885AVPR1A 1903/4885

“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.