SCHEMBL86749

SCHEMBL86749

O=C1c2cc(Cl)ccc2CSc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
MAPK14 Q16539 1/20 0.46
S100A4 P26447 1/20 0.46
AKR1B1 P15121 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 4/20 0.44
VHL P40337 1/20 0.44
ELOC Q15369 1/20 0.44
ELOB Q15370 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MMP12 P39900 1/20 0.43
ACHE P22303 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
NOTUM Q6P988 1/20 0.41
GAA P10253 1/20 0.41
MIF P14174 1/20 0.40
HSD17B3 P37058 1/20 0.40

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
SCHEMBL91640 0.88 VHL (0.51) MAOBMAPK14S100A4AKR1B1HPGD
SCHEMBL86279 0.81 ACHE (0.59) MAOBMAPK14S100A4AKR1B1HPGD
SCHEMBL31123671 0.81 ACHE (0.59) MAOBMAPK14S100A4AKR1B1HPGD
SCHEMBL31510701 0.81 ACHE (0.59) MAOBMAPK14S100A4AKR1B1HPGD
SCHEMBL86330 0.81 TDP1 (0.59) MAOBMAPK14S100A4AKR1B1L3MBTL1
SCHEMBL13871237 0.81 NPC1 (0.51) MAOBMAPK14S100A4AKR1B1HPGD
SCHEMBL86282 0.81 AKR1B1 (0.46) MAOBMAPK14AKR1B1L3MBTL1MAPT
SCHEMBL86191 0.81 ELANE (0.51) MAOBMAPK14AKR1B1HPGDMAPT
SCHEMBL86333 0.81 AKR1B1 (0.46) MAOBMAPK14S100A4AKR1B1L3MBTL1
SCHEMBL86298 0.81 MMP12 (0.47) MAPTVHLELOCELOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAOB 202/4885MAPK14 1349/4885S100A4 1083/4885

“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.