SCHEMBL3248382

SCHEMBL3248382

CCOC(=O)COC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
NAAA Q02083 2/20 0.41
ALDH1A1 P00352 4/20 0.40
TRPA1 O75762 1/20 0.40
CYP2D6 P10635 1/20 0.40
EPHX1 P07099 1/20 0.39
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL3256401 0.98 KMT2A (0.50) KMT2AMGAMGAASIMGAM2
SCHEMBL3252087 0.98 KMT2A (0.50) KMT2AMGAMGAASIMGAM2
SCHEMBL3251414 0.98 KMT2A (0.50) KMT2AMGAMGAASIMGAM2
SCHEMBL19569796 0.98 KMT2A (0.50) KMT2AMGAMGAASIMGAM2
SCHEMBL3248583 0.96 KMT2A (0.47) KMT2AMGAMGAASIMGAM2
SCHEMBL20234347 0.86 KMT2A (0.42) KMT2AMGAMGAASIMGAM2
SCHEMBL7903603 0.85 MGAM (0.47) KMT2AMGAMGAASIMGAM2
SCHEMBL23498853 0.85 SMYD3 (0.49) KMT2AMGAMGAASIMGAM2
SCHEMBL8904681 0.85 SMYD3 (0.49) KMT2AMGAMGAASIMGAM2
SCHEMBL8904686 0.85 SMYD3 (0.49) KMT2AMGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773078-B2 Furin inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-03 US disclosed
US-8609669-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US disclosed
WO-2012067822-A1 PYRAZOLO [1, 5 -A] PYRIMIDIN POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122888-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
US-7741493-B2 4,5-diphenyl-2-amino-4,5-dihydro-imidazole derivatives; antiinflammatory agent, neurodegenerative diseases; inflammatory bowel disease, rheumatoid arthritis and diseases associated with central nervous system, such as Alzheimer's disease AVENTIS PHARMACEUTICALS INC. (US) 2010-06-22 US disclosed
EP-1651613-B1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMA INC (US) 2010-05-26 EP disclosed
US-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2008-06-05 US disclosed
US-7326792-B2 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2008-02-05 US disclosed
CN-1826325-A 4,5-dihydro-imidazole as P2X7 ion channel blockers AVENTIS PHARMA INC (US) 2006-08-30 CN disclosed
EP-1651613-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS Aventis Pharmaceuticals, Inc. (US) 2006-05-03 EP disclosed
WO-2005014555-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-17 WO disclosed
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2005-02-03 US 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 (4 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-20120122888-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNJ2 KMT2A 572/4885MGAM 4432/4885GAA 3330/4885
US-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS P2RX3, P2RX2, P2RX5 KMT2A 3229/4885MGAM 4864/4885GAA 4232/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 KMT2A 4129/4885MGAM 2580/4885GAA 405/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 KMT2A 3229/4885MGAM 4864/4885GAA 4232/4885

“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.