SCHEMBL3886741

SCHEMBL3886741

O=C1c2ccccc2C(=O)c2c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 1.00
RAB9A P51151 2/20 1.00
MTOR P42345 1/20 1.00
SIRT2 Q8IXJ6 1/20 1.00
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
NSD2 O96028 2/20 0.57
POLB P06746 2/20 0.57
BLM P54132 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57
TOP2B Q02880 1/20 0.56
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
P2RY4 P51582 1/20 0.49
HSP90AA1 P07900 1/20 0.46
G6PD P11413 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
SCHEMBL30513725 1.00 NPC1 (1.00) NPC1RAB9AMTORSIRT2MEN1
SCHEMBL29895852 1.00 NPC1 (1.00) NPC1RAB9AMTORSIRT2MEN1
SCHEMBL18134578 0.93 NPC1 (0.87) NPC1RAB9AMTORSIRT2MEN1
SCHEMBL8650828 0.90 RAB9A (0.82) NPC1RAB9AMTORSIRT2MEN1
SCHEMBL7067927 0.88 RAB9A (0.78) NPC1RAB9AMTORSIRT2MEN1
SCHEMBL11059596 0.87 RAB9A (0.77) NPC1RAB9AMTORSIRT2MEN1
SCHEMBL7064269 0.84 RAB9A (0.72) NPC1RAB9AMTORSIRT2MEN1
SCHEMBL7062110 0.83 NPC1 (0.70) NPC1RAB9AMTORSIRT2MEN1
SCHEMBL11560999 0.80 NPC1 (0.67) NPC1RAB9AMTORSIRT2MEN1
SCHEMBL11172903 0.79 RAB9A (0.66) NPC1RAB9AMTORSIRT2MEN1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2014281-A1 Use of inhibitors of sirtuins and/or ampk for the preparation of a medicament for the treatment of polyalanine diseases. INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-01-14 EP claimed
WO-2024143787-A1 RED PHOTOSENSITIVE RESIN COMPOSITION, COLOR FILTER PREPARED USING SAME, AND SOLID-STATE IMAGING DEVICE OR DISPLAY APPARATUS COMPRISING SAME 동우 화인켐 주식회사 2024-07-04 WO disclosed
CN-116643455-A Colored photosensitive resin composition, color filter produced using the same, and solid-state imaging element or display device comprising the same 东友精细化工有限公司 2023-08-25 CN disclosed
CN-107272339-B Gray photosensitive resin composition, color filter manufactured using the same, and display element including the color filter 东友精细化工有限公司 2021-04-02 CN disclosed
CN-104298075-B Colored photosensitive resin composition, color filter and display device comprising same 东友精细化工有限公司 2020-12-01 CN disclosed
US-10813934-B2 Sirtuin modulators as inhibitors of cytomegalovirus THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-10-27 US disclosed
CN-106019843-B Colored photosensitive resin composition and color filter manufactured by same 东友精细化工有限公司 2020-07-31 CN disclosed
US-20200121620-A1 SENOLYTIC COMPOUNDS UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2020-04-23 US disclosed
US-20200121620-A1 SENOLYTIC COMPOUNDS UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2020-04-23 US disclosed
CN-104950578-B Colored photosensitive resin composition and color filter produced therefrom 东友精细化工有限公司 2019-12-06 CN disclosed
US-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase YALE UNIVERSITY (US) 2015-10-01 US disclosed
US-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase YALE UNIVERSITY (US) 2015-10-01 US disclosed
WO-2012106509-A1 SIRTUIN MODULATORS AS VIRUS PRODUCTION MODULATORS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-08-09 WO disclosed
EP-2014281-A1 Use of inhibitors of sirtuins and/or ampk for the preparation of a medicament for the treatment of polyalanine diseases. INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-01-14 EP disclosed
EP-0797638-B1 ERASABLE INK COMPOSITION AND MARKING INSTRUMENT CONTAINING SAME BIC CORP (US) 2003-06-04 EP disclosed
EP-0797638-A1 ERASABLE INK COMPOSITION AND MARKING INSTRUMENT CONTAINING SAME BIC CORPORATION (US) 1997-10-01 EP disclosed
WO-1996018697-A1 ERASABLE INK COMPOSITION AND MARKING INSTRUMENT CONTAINING SAME BIC CORPORATION (US) 1996-06-20 WO disclosed
US-5200290-A Liquid developers containing colored polymers with a color chromophore covalently bound thereto XEROX CORPORATION (US) 1993-04-06 US disclosed
US-4778742-A Colored toner compositions XEROX CORPORATION (US) 1988-10-18 US disclosed
US-4645727-A Colored toner compositions comprising dye chromophores XEROX CORPORATION (US) 1987-02-24 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 (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-10813934-B2 Sirtuin modulators as inhibitors of cytomegalovirus SIRT1, SIRT2, SIRT7 NPC1 2730/4885RAB9A 3558/4885MTOR 358/4885
US-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase KDM1B, KDM1A, JMJD1C NPC1 4482/4885RAB9A 2177/4885MTOR 2032/4885
US-20200121620-A1 SENOLYTIC COMPOUNDS PINK1, PTK2, FYN NPC1 1637/4885RAB9A 771/4885MTOR 125/4885

“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.