SCHEMBL1111565

SCHEMBL1111565

O=C(NCc1ccc2[nH]c(C(F)(F)F)cc2c1)c1ncc(Cl)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.46
NHERF1 O14745 1/20 0.45
ALDH1A1 P00352 7/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
METAP2 P50579 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PABPC1 P11940 1/20 0.43
MAP4K1 Q92918 1/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
MAOB P27338 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
SCHEMBL1111550 0.91 ALDH1A1 (0.44) KLKB1NHERF1ALDH1A1MAPTKDM4E
SCHEMBL1111625 0.87 ALDH1A1 (0.44) KLKB1ALDH1A1MAPTKDM4EMETAP2
SCHEMBL7996732 0.86 ALDH1A1 (0.44) KLKB1NHERF1ALDH1A1MAPTKDM4E
SCHEMBL1111628 0.84 JUN (0.44) KLKB1NHERF1ALDH1A1MAPTKDM4E
SCHEMBL1115228 0.83 PDE2A (0.45) KLKB1NHERF1ALDH1A1MAPTKDM4E
SCHEMBL8002663 0.82 ALDH1A1 (0.45) KLKB1ALDH1A1MAPTKDM4EMEN1
SCHEMBL12958860 0.82 ALDH1A1 (0.48) KLKB1ALDH1A1MAPTKDM4EMEN1
SCHEMBL12900635 0.81 ALDH1A1 (0.49) KLKB1ALDH1A1MAPTKDM4EMEN1
SCHEMBL1111541 0.81 CHRM2 (0.42) KLKB1ALDH1A1MAPTMETAP2KMT2A
SCHEMBL7987320 0.81 ITK (0.49) ALDH1A1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279183-B1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 PROXIMAGEN LTD (GB) 2012-08-08 EP claimed
CN-102066356-A Indoles as modulators of nicoticic acetylcholine receptor subtype alpha-7 GLAXO GROUP LTD 2011-05-18 CN 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
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 (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-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 CHRNA7, CHRNA5, CHRNA6 KLKB1 4574/4885NHERF1 723/4885ALDH1A1 1710/4885

“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.