SCHEMBL87136

SCHEMBL87136

C=CC(=O)Nc1ccc2sc3ccccc3c(=O)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
MAPT P10636 3/20 0.62
ALDH1A1 P00352 3/20 0.62
HPGD P15428 2/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
MEN1 O00255 1/20 0.62
HCRTR1 O43613 1/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
KMT2A Q03164 1/20 0.62
RELA Q04206 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
POLB P06746 1/20 0.49
TGM2 P21980 6/20 0.49
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FYN P06241 3/20 0.45
SRC P12931 3/20 0.45
NOX1 Q9Y5S8 1/20 0.44

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
SCHEMBL22281315 0.83 KDM4E (0.68) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL14012188 0.80 MAPT (0.60) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL5054851 0.78 MAPT (0.59) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL29634575 0.78 CRHBP (0.52) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL27368087 0.77 KDM4E (0.58) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL3796357 0.77 KDM4E (0.53) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL27654052 0.77 KDM4E (0.50) KDM4EMAPTALDH1A1HPGDNPC1
Acrylic Acid SCHEMBL28027777 0.77 KDM4E (0.50) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL22269138 0.77 KDM4E (0.55) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL15226797 0.76 KDM4E (0.58) KDM4EMAPTALDH1A1HPGDNPC1

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-20150132544-A1 INK COMPOSITION, IMAGE FORMING METHOD, AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2015-05-14 US disclosed
US-20150132544-A1 INK COMPOSITION, IMAGE FORMING METHOD, AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2015-05-14 US disclosed
EP-2053095-B1 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2014-03-26 EP disclosed
US-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
EP-2053095-A2 Ink composition and inkjet recording method using the same Fujifilm Corporation (JP) 2009-04-29 EP disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 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-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME RB1, IK, NOX1 KDM4E 679/4885MAPT 2087/4885ALDH1A1 440/4885

“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.