SCHEMBL2339911

SCHEMBL2339911

CC(C#N)c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
GFER P55789 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 2/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ACHE P22303 1/20 0.36
HSD11B1 P28845 3/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TSHR P16473 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL11158144 0.84 TDP1 (0.36) ALDH1A1MEN1KMT2AGAAGFER
SCHEMBL8763608 0.84 TSHR (0.42) ALDH1A1CYP3A4TSHRHIF1A
SCHEMBL953145 0.83 CES2 (0.40) ALDH1A1MEN1KMT2AGAAGFER
SCHEMBL10079518 0.80 CYP3A4 (0.38) ALDH1A1MEN1KMT2AGAACYP3A4
SCHEMBL7956277 0.79 IDO1 (0.38) ALDH1A1MEN1KMT2AGAAGFER
SCHEMBL1874935 0.78 GABRA1 (0.58) ALDH1A1MEN1KMT2AGAATDP1
SCHEMBL6141021 0.78 CYP3A4 (0.40) ALDH1A1MEN1KMT2AGAACYP3A4
SCHEMBL11566406 0.76 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AGAAGFER
SCHEMBL11158774 0.76 FFAR1 (0.48) CYP11B1CYP11B2
SCHEMBL4910575 0.76 IDO1 (0.37) ALDH1A1MEN1KMT2AGAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663960-B1 AMIDINES AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2011-08-24 EP disclosed
US-7674806-B2 Amidines and derivatives thereof and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2010-03-09 US disclosed
US-20070155717-A1 Amidines and derivatives thereof and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A (IT) 2007-07-05 US disclosed
CN-1882530-A Amidines and derivatives thereof and pharmaceutical compositions containing them DOMPE PHA R MA SPA RES & MFG (IT) 2006-12-20 CN disclosed
EP-1663960-A2 AMIDINES AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2006-06-07 EP disclosed
WO-2005028425-A2 AMIDINES AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ PHA.R.MA S.P.A. (IT) 2005-03-31 WO disclosed
CN-1107068-C 2-amino-7-(1-substituted-2-hydroxyethyl)-3,5-dihydro-pyrrolo (3,2-D] pyrimidine-4-ones NOVARTIS AG (CH) 2003-04-30 CN disclosed
CN-1257503-A 2-amino-7-(1-substituted-2-hydroxyethyl)-3,5-dihydro-pyrrolo (3,2-D] pyrimidine-4-ones NOVARTIS AG (CH) 2000-06-21 CN disclosed
EP-0135249-B1 STYRENE DERIVATIVES TAISHO PHARMACEUTICAL CO. LTD (JP) 1986-11-12 EP disclosed
US-4557871-A Novel styrene derivatives of the general formula TAISHO PHARMACEUTICAL CO., LTD. (JP) 1985-12-10 US disclosed
EP-0135249-A1 Styrene derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1985-03-27 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-20070155717-A1 Amidines and derivatives thereof and pharmaceutical compositions containing them MMP8, CXCL8, MPO ALDH1A1 1638/4885MEN1 1994/4885KMT2A 4879/4885

“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.