SCHEMBL7987320

SCHEMBL7987320

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.49
CHRNA7 P36544 1/20 0.45
NAMPT P43490 3/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 2/20 0.45
PKM P14618 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HTT P42858 1/20 0.43
PTGES O14684 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL11981731 0.88 ALDH1A1 (0.44) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL12958860 0.88 ALDH1A1 (0.48) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL1111647 0.88 ALDH1A1 (0.44) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL8002663 0.87 ALDH1A1 (0.45) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL7996732 0.86 ALDH1A1 (0.44) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL3427843 0.86 CHRNA7 (0.59) ITKCHRNA7NAMPTEPHX2
SCHEMBL12900635 0.86 ALDH1A1 (0.49) CHRNA7ALDH1A1MAPTLMNAHPGD
SCHEMBL7987284 0.86 EPHX2 (0.56) CHRNA7ALDH1A1MEN1KMT2AHTT
SCHEMBL1269992 0.86 ALDH1A1 (0.43) CHRNA7ALDH1A1MAPTLMNAHPGD
SCHEMBL1111666 0.85 HPGDS (0.59) ITKEPHX2

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 14 patents. 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-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
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 US disclosed
WO-2012131031-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2012-10-04 WO 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-2279184-B1 INDOLE MODULATORS OF THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR PROXIMAGEN LTD (GB) 2012-08-08 EP disclosed
EP-2279184-B1 INDOLE MODULATORS OF THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR PROXIMAGEN LTD (GB) 2012-08-08 EP disclosed
US-20110034515-A1 INDOLE MODULATORS OF THE ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-10 US disclosed
US-20110034515-A1 INDOLE MODULATORS OF THE ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-10 US 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-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA2 ITK 3985/4885CHRNA7 2/4885NAMPT 244/4885
US-20110034515-A1 INDOLE MODULATORS OF THE ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR CHRNA7, CHRNA5, CHRNG ITK 3267/4885CHRNA7 1/4885NAMPT 1156/4885

“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.