SCHEMBL2092444

SCHEMBL2092444

N#CCC(=O)c1ccc(OC(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.55
TSHR P16473 2/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALOX15 P16050 1/20 0.51
GFER P55789 1/20 0.51
ADAM17 P78536 1/20 0.51
ALDH1A1 P00352 5/20 0.51
MDM2 Q00987 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49

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
SCHEMBL2090080 0.84 SMN1; SMN2 (0.50) HTTTSHRLMNASMN1; SMN2ATM
SCHEMBL1856596 0.83 KMT2A (0.56) HTTTSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL10966879 0.81 ALDH1A1 (0.47) HTTTSHRLMNASMN1; SMN2ALOX15
SCHEMBL395103 0.80 GSK3B (0.48) SMN1; SMN2ALOX15ALDH1A1KMT2ARAB9A
SCHEMBL2791684 0.78 ALOX15 (0.66) HTTTSHRLMNAALOX15GFER
SCHEMBL5804124 0.77 HDAC3 (0.56) HTTTSHRALOX15GFERADAM17
SCHEMBL10883891 0.77 HDAC3 (0.60) HTTTSHRLMNASMN1; SMN2ALOX15
SCHEMBL20491355 0.77 ALOX15 (0.56) HTTTSHRLMNAALOX15GFER
SCHEMBL5804126 0.77 HDAC3 (0.59) HTTTSHRALOX15GFERADAM17
SCHEMBL1856302 0.77 GSK3B (0.59) HTTTSHRALOX15GFERADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 EP disclosed
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 US disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 US disclosed
EP-2118067-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Siena Biotech S.p.A. (IT) 2009-11-18 EP disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 HTT 1855/4885TSHR 490/4885LMNA 3509/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 HTT 1022/4885TSHR 410/4885LMNA 3205/4885

“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.