SCHEMBL1987556

SCHEMBL1987556

O=C(OCCc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.67
▸ RAB9A P51151 4/20 0.67
▸ MAPT P10636 4/20 0.67
▸ MEN1 O00255 4/20 0.67
▸ KMT2A Q03164 4/20 0.67
▸ L3MBTL1 Q9Y468 2/20 0.67
▸ TDP1 Q9NUW8 2/20 0.67
▸ LMNA P02545 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ PRKCA P17252 2/20 0.49
▸ ESR1 P03372 1/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MTOR P42345 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ PTPN1 P18031 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 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
SCHEMBL13884741 0.88 MAPT (0.71) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL13295527 0.87 MAPT (0.69) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL10613692 0.86 MAPT (0.64) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL13884730 0.85 MEN1 (0.67) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL13893449 0.85 MAPT (0.67) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL13178023 0.83 MAPT (0.64) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL13473966 0.81 MAPT (0.71) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL11882893 0.81 NPC1 (0.67) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL30749688 0.81 MAPT (0.61) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL13370284 0.81 MEN1 (1.00) NPC1RAB9AMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63223064-A — — None — — JP disclosed
EP-1624028-B1 Anthraquinone colorant compounds XEROX CORP (US) 2011-06-29 — — EP disclosed
US-7901496-B2 Phase change inks XEROX CORPORATION (US) 2011-03-08 — — US disclosed
US-7683192-B2 Colorant compounds XEROX CORPORATION (US) 2010-03-23 — — US disclosed
US-7622580-B2 Colorant compounds XEROX CORPORATION (US) 2009-11-24 — — US disclosed
EP-1621592-B1 Phase change inks XEROX CORP (US) 2009-10-07 — — EP disclosed
US-7211131-B2 Phase change inks XEROX CORPORATION (US) 2007-05-01 — — US disclosed
US-20060032397-A1 Hot melts; for ink jet/piezoelectric printing XEROX CORPORATION 2006-02-16 — — US disclosed
US-20060036095-A1 Colorant compounds XEROX CORPORATION 2006-02-16 — — US disclosed
EP-1626072-A1 Phase change inks Xerox Corporation (US) 2006-02-15 — — EP disclosed
EP-1626071-A1 Anthrapyridone colorant compounds Xerox Corporation (US) 2006-02-15 — — EP disclosed
EP-1624028-A1 Anthraquinone colorant compounds Xerox Corporation (US) 2006-02-08 — — EP disclosed
US-20060025616-A1 Colorant compounds XEROX CORPORATION 2006-02-02 — — US disclosed
US-20060021547-A1 Phase change inks XEROX CORPORATION 2006-02-02 — — US disclosed
EP-1621592-A1 Phase change inks Xerox Corporation (US) 2006-02-01 — — EP disclosed
JP-S63223064-A BLUE COLORING MATTER FOR USE IN FILTER MITSUI TOATSU CHEM INC 1988-09-16 — — JP 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 (3 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-20060036095-A1 Colorant compounds RB1, NDUFS6, PRMT6 NPC1 1476/4885RAB9A 610/4885MAPT 1546/4885
US-20060021547-A1 Phase change inks NR4A3, RB1, CDK3 NPC1 2275/4885RAB9A 1158/4885MAPT 3109/4885
US-20060025616-A1 Colorant compounds NR4A3, NR0B2, NR2E3 NPC1 2556/4885RAB9A 2324/4885MAPT 4145/4885

“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.

Send feedback