SCHEMBL4060946

SCHEMBL4060946

C#Cc1ccc(COCCOC)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
APP P05067 4/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NAAA Q02083 1/20 0.33
ICAM1 P05362 4/20 0.33
SELE P16581 4/20 0.33
HDAC8 Q9BY41 1/20 0.32
NR4A2 P43354 1/20 0.32
USP4 Q13107 1/20 0.32
USP7 Q93009 1/20 0.32
VCAM1 P19320 1/20 0.32
ACACB O00763 1/20 0.31

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
SCHEMBL26582580 0.83 HDAC8 (0.33) TDP1L3MBTL1HDAC8ACACB
SCHEMBL12344408 0.82 ACACB (0.41) APPHDAC8ACACB
SCHEMBL29089308 0.82 TSHR (0.46) APPTDP1HDAC8
SCHEMBL16070964 0.79 APP (0.37) PTPN2PTPN1PTPN6APPTDP1
SCHEMBL15565141 0.79 APP (0.42) PTPN2PTPN1PTPN6APPNAAA
SCHEMBL517636 0.79 NR3C1 (0.40) TDP1HDAC8USP4USP7ACACB
SCHEMBL3016789 0.79 HDAC8 (0.35) TDP1L3MBTL1HDAC8USP4USP7
SCHEMBL18085581 0.78 PTPN2 (0.41) PTPN2PTPN1PTPN6APPTDP1
SCHEMBL14653334 0.78 KDM4E (0.50) APP
SCHEMBL20569054 0.77 L3MBTL1 (0.51) APPTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268421-B1 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2009-05-06 EP disclosed
US-6872834-B2 Phenyl-substituted indoles and indazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-03-29 US disclosed
EP-1268421-A2 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-01-02 EP disclosed
US-20020006928-A1 Phenyl-substituted indoles and indazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 US disclosed
WO-2001074773-A2 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 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 (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-20020006928-A1 Phenyl-substituted indoles and indazoles IDO1, IDO2, AADAC PTPN2 2947/4885PTPN1 3167/4885PTPN6 3021/4885

“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.