SCHEMBL1111647

SCHEMBL1111647

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 6/20 0.43
PABPC1 P11940 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 3/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
EPHX2 P34913 1/20 0.41
USP2 O75604 1/20 0.41
MAOB P27338 1/20 0.41
HDAC2 Q92769 1/20 0.40
KLKB1 P03952 1/20 0.40
PSMD14 O00487 1/20 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
SCHEMBL11898070 0.92 METTL3 (0.47) EPHX2MAOBPSMD14STAMBPKDM1A
SCHEMBL11981731 0.90 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL7987320 0.88 ITK (0.49) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL8002663 0.88 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTPABPC1
SCHEMBL12958860 0.88 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTPABPC1
SCHEMBL12900635 0.85 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTPABPC1
SCHEMBL7996732 0.85 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL1269992 0.85 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL7987284 0.85 EPHX2 (0.56) ALDH1A1MEN1KMT2AHTTEPHX2
SCHEMBL1111666 0.84 HPGDS (0.59) 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283365-B2 Indole modulators of the alpha 7 nicotinic acetylcholine receptor PROXIMAGEN LIMITED (GB) 2012-10-09 US claimed
EP-2279184-B1 INDOLE MODULATORS OF THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR PROXIMAGEN LTD (GB) 2012-08-08 EP claimed
US-20110034515-A1 INDOLE MODULATORS OF THE ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-10 US claimed
EP-2279184-A1 INDOLE MODULATORS OF THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR Glaxo Group Limited (GB) 2011-02-02 EP claimed
WO-2009127678-A1 INDOLES AS MODULATORS OF NICOTINIC ACETYLCHOLIN RECEPTOR SUBTYPE ALPHA-71 GLAXO GROUP LIMITED (GB) 2009-10-22 WO claimed
US-8377941-B2 Indoles as modulators of nicotinic acetylcholine receptor subtype alpha-7 PROXIMAGEN LIMITED (GB) 2013-02-19 US disclosed
US-8377941-B2 Indoles as modulators of nicotinic acetylcholine receptor subtype alpha-7 PROXIMAGEN LIMITED (GB) 2013-02-19 US disclosed
US-8377941-B2 Indoles as modulators of nicotinic acetylcholine receptor subtype alpha-7 PROXIMAGEN LIMITED (GB) 2013-02-19 US disclosed
US-8283365-B2 Indole modulators of the alpha 7 nicotinic acetylcholine receptor PROXIMAGEN LIMITED (GB) 2012-10-09 US disclosed
US-8283365-B2 Indole modulators of the alpha 7 nicotinic acetylcholine receptor PROXIMAGEN LIMITED (GB) 2012-10-09 US disclosed
US-8283365-B2 Indole modulators of the alpha 7 nicotinic acetylcholine receptor PROXIMAGEN LIMITED (GB) 2012-10-09 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
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-03 US disclosed
EP-2279184-A1 INDOLE MODULATORS OF THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR Glaxo Group Limited (GB) 2011-02-02 EP 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
WO-2009127678-A1 INDOLES AS MODULATORS OF NICOTINIC ACETYLCHOLIN RECEPTOR SUBTYPE ALPHA-71 GLAXO GROUP LIMITED (GB) 2009-10-22 WO disclosed
WO-2009127679-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXO GROUP LIMITED (GB) 2009-10-22 WO disclosed
WO-2009127678-A1 INDOLES AS MODULATORS OF NICOTINIC ACETYLCHOLIN RECEPTOR SUBTYPE ALPHA-71 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-20110034515-A1 INDOLE MODULATORS OF THE ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR CHRNA7, CHRNA5, CHRNG ALDH1A1 1122/4885MEN1 3918/4885KMT2A 2101/4885
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 CHRNA7, CHRNA5, CHRNA6 ALDH1A1 1710/4885MEN1 4452/4885KMT2A 1203/4885

“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.