SCHEMBL1111666

SCHEMBL1111666

O=C(NCc1ccc2[nH]c(C(F)(F)F)cc2c1)c1ccc(-c2ccccc2)nc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 8/20 0.59
ITK Q08881 2/20 0.49
BAZ2B Q9UIF8 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
EPHX2 P34913 1/20 0.42
HTR2C P28335 1/20 0.42
MCHR1 Q99705 1/20 0.42
PDE2A O00408 1/20 0.42
HDAC2 Q92769 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL1111640 0.92 HPGDS (0.48) HPGDSITKEPHX2HDAC2
SCHEMBL7999504 0.87 DDR2 (0.45) HPGDSITKHDAC2
SCHEMBL1111648 0.87 ROCK2 (0.47) HPGDSHTR2CMCHR1
SCHEMBL7987320 0.85 ITK (0.49) ITKEPHX2
SCHEMBL1111651 0.85 ALDH1A1 (0.49)
SCHEMBL12932955 0.84 ERCC1 (0.51) HDAC2
SCHEMBL1111610 0.84 EPHX2 (0.49) HPGDSEPHX2
SCHEMBL11981731 0.84 ALDH1A1 (0.44) EPHX2HDAC2
SCHEMBL12958860 0.84 ALDH1A1 (0.48) EPHX2
SCHEMBL1111647 0.84 ALDH1A1 (0.44) EPHX2HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102066356-B Indoles as modulators of nicoticic acetylcholine receptor subtype alpha-7 GLAXO GROUP LTD 2014-06-11 CN claimed
US-8377941-B2 Indoles as modulators of nicotinic acetylcholine receptor subtype alpha-7 PROXIMAGEN LIMITED (GB) 2013-02-19 US claimed
EP-2279183-B1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 PROXIMAGEN LTD (GB) 2012-08-08 EP claimed
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-03 US claimed
EP-2279183-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 Glaxo Group Limited (GB) 2011-02-02 EP claimed
WO-2009127679-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXO GROUP LIMITED (GB) 2009-10-22 WO claimed
CN-102066356-B Indoles as modulators of nicoticic acetylcholine receptor subtype alpha-7 GLAXO GROUP LTD 2014-06-11 CN disclosed
US-8377941-B2 Indoles as modulators of nicotinic acetylcholine receptor subtype alpha-7 PROXIMAGEN LIMITED (GB) 2013-02-19 US disclosed
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 US disclosed
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 US disclosed
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 US disclosed
EP-2279183-B1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 PROXIMAGEN LTD (GB) 2012-08-08 EP disclosed
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-03 US disclosed
EP-2279183-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 Glaxo Group Limited (GB) 2011-02-02 EP disclosed
WO-2009127679-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXO GROUP LIMITED (GB) 2009-10-22 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 (2 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-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA2 HPGDS 3088/4885ITK 3985/4885BAZ2B 1410/4885
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 CHRNA7, CHRNA5, CHRNA6 HPGDS 4472/4885ITK 3116/4885BAZ2B 1472/4885

“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.