SCHEMBL480288

SCHEMBL480288

N=C(Cc1ccc(I)cc1)NO

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
IDO1 P14902 2/20 0.35
APP P05067 6/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
APEX1 P27695 1/20 0.33
PMP22 Q01453 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
SIGMAR1 Q99720 2/20 0.32

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
SCHEMBL1965925 0.80 IDO1 (0.45) IDO1MEN1KMT2A
SCHEMBL838150 0.80 CA2 (0.46) IDO1HDAC8CA2SIGMAR1
SCHEMBL1580990 0.78 IDO1 (0.44) IDO1MEN1KMT2AHDAC6
SCHEMBL641565 0.78 GAA (0.46) IDO1KMT2A
SCHEMBL641405 0.78 IDO1 (0.44) IDO1MEN1KMT2AHDAC8HDAC6
SCHEMBL23586287 0.78 ALDH1A1 (0.42) CYP3A4IDO1MEN1KMT2AHDAC8
SCHEMBL434982 0.77 HDAC8 (0.56) IDO1MEN1KMT2AHDAC8HDAC6
SCHEMBL481228 0.76 CYP1A2 (0.43) IDO1APPCYP1A2CYP2D6MEN1
SCHEMBL21097010 0.75 LMNA (0.53) MEN1KMT2AHDAC8HDAC6CA1
SCHEMBL23578295 0.75 POLB (0.46) CYP3A4CYP1A2CYP2D6HDAC6CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101955470-B Potentiators of glutamate receptors LILLY CO ELI 2012-06-13 CN disclosed
EP-2441762-A1 Potentiators of Glutamate Receptors Eli Lilly and Company (US) 2012-04-18 EP disclosed
EP-1817301-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2012-02-01 EP disclosed
CN-101955470-A Glutamate receptor potentiators LILLY CO ELI 2011-01-26 CN disclosed
US-7816523-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-10-19 US disclosed
CN-101061106-B Glutamate receptor potentiators LILLY CO ELI 2010-09-29 CN disclosed
US-7803938-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-09-28 US disclosed
US-20090318481-A1 Potentiators Of Glutamate Receptors AICHER THOMAS DANIEL 2009-12-24 US disclosed
US-20090318483-A1 Potentiators Of Glutamate Receptors AICHER THOMAS DANIEL 2009-12-24 US disclosed
US-7598423-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-20080139505-A1 Potentiators Of Glutamate Receptors ARRAY BIOPHARMA, INC. 2008-06-12 US disclosed
CN-101061106-A Glutamate receptor potentiators LILLY CO ELI (US) 2007-10-24 CN disclosed
EP-1817301-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
US-7135493-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-11-14 US disclosed
WO-2006057870-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed
CN-1764648-A Hydroxamic acid derivatives as inhibitors of Histone Deacetylase (HDAC) FUJISAWA PHARMACEUTICAL CO (JP) 2006-04-26 CN disclosed
EP-1585735-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Astellas Pharma Inc. (JP) 2005-10-19 EP disclosed
US-20040229889-A1 HDAC inhibitor FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 US disclosed
WO-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 WO 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 (4 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-20080139505-A1 Potentiators Of Glutamate Receptors GRM1, GRIN1, GRM2 CYP3A4 1104/4885IDO1 2210/4885APP 2557/4885
US-20040229889-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 CYP3A4 3778/4885IDO1 384/4885APP 4718/4885
US-20090318481-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 CYP3A4 1958/4885IDO1 3036/4885APP 752/4885
US-20090318483-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 CYP3A4 1958/4885IDO1 3036/4885APP 752/4885

“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.