SCHEMBL3244255

SCHEMBL3244255

FC(F)(F)c1ccccc1[CH]c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.48
MAOB P27338 4/20 0.45
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
TNF P01375 2/20 0.43
IL6 P05231 1/20 0.43
BACE1 P56817 1/20 0.41
P4HB P07237 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
RAB9A P51151 1/20 0.40
NOD1 Q9Y239 1/20 0.40
LMNA P02545 1/20 0.39
MYC P01106 1/20 0.38
MAX P61244 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL2494559 0.86 NFKB1 (0.55) NFKB1MAOBGRIN2DGRIN3BGRIN1
SCHEMBL5492342 0.81 NFKB1 (0.56) NFKB1MAOBGRIN2DGRIN3BGRIN1
SCHEMBL5492352 0.81 NFKB1 (0.56) NFKB1MAOBGRIN2DGRIN3BGRIN1
SCHEMBL5253641 0.80 MAOB (0.39) MAOBLMNAALDH1A1MAPK1NFE2L2
SCHEMBL5255552 0.79 CES2 (0.41) MAOBBACE1RAB9AMEN1ALDH1A1
SCHEMBL11128360 0.79 BACE1 (0.43) NFKB1MAOBGRIN2DGRIN3BGRIN1
SCHEMBL3452696 0.78 ALDH1A1 (0.41) MAOBLMNAALDH1A1NFE2L2
SCHEMBL11128358 0.77 NFKB1 (0.41) NFKB1MAOBGRIN2DGRIN3BGRIN1
SCHEMBL16225857 0.77 NFKB1 (0.52) NFKB1MAOBGRIN2DGRIN3BGRIN1
SCHEMBL6418952 0.76 MAOB (0.52) NFKB1MAOBGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906970-B1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS WITH REDUCED TACK NOVARTIS AG (CH) 2016-11-23 EP claimed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
EP-1646639-A2 NUCLEOTIDE PHOSPHORAMIDATES AS ANTICANCER AGENTS University College Cardiff Consultants, Ltd. (GB) 2006-04-19 EP disclosed
WO-2005012327-A2 NUCLEOTIDE PHOSPHORAMIDATES AS ANTICANCER AGENTS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2005-02-10 WO disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 NFKB1 2591/4885MAOB 860/4885GRIN2D 2716/4885

“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.