SCHEMBL86330

SCHEMBL86330

O=C1c2cc(Br)ccc2CSc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
PTPRC P08575 1/20 0.46
AKR1B1 P15121 1/20 0.46
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
MIF P14174 1/20 0.43
ACHE P22303 1/20 0.43
MAPK14 Q16539 1/20 0.43
MAPT P10636 1/20 0.43
NOTUM Q6P988 1/20 0.41
MAOB P27338 1/20 0.40
HSD17B3 P37058 1/20 0.40
S100A4 P26447 1/20 0.39
METAP1 P53582 1/20 0.38
BCL2 P10415 1/20 0.38
MCL1 Q07820 1/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
PARP1 P09874 1/20 0.37

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
SCHEMBL9044156 0.88 TDP1 (0.59) TDP1L3MBTL1PTPRCAKR1B1CYP1A2
SCHEMBL86279 0.81 ACHE (0.59) TDP1L3MBTL1AKR1B1MIFACHE
SCHEMBL31123671 0.81 ACHE (0.59) TDP1L3MBTL1AKR1B1MIFACHE
SCHEMBL31510701 0.81 ACHE (0.59) TDP1L3MBTL1AKR1B1MIFACHE
SCHEMBL13871237 0.81 NPC1 (0.51) TDP1L3MBTL1PTPRCAKR1B1MAPK1
SCHEMBL86191 0.81 ELANE (0.51) TDP1AKR1B1MIFACHEMAPK14
SCHEMBL86749 0.81 MAOB (0.54) L3MBTL1AKR1B1MIFACHEMAPK14
SCHEMBL86333 0.81 AKR1B1 (0.46) TDP1L3MBTL1AKR1B1MAPK1MIF
SCHEMBL86282 0.81 AKR1B1 (0.46) TDP1L3MBTL1AKR1B1MIFACHE
SCHEMBL86336 0.78 MAPT (0.50) TDP1AKR1B1MAPK14MAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0101234-B1 THERAPEUTIC AGENT The Boots Company PLC (GB) 1986-10-29 EP disclosed
EP-0101234-A1 Therapeutic agent The Boots Company PLC (GB) 1984-02-22 EP 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 TDP1 2629/4885L3MBTL1 2764/4885PTPRC 778/4885

“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.