SCHEMBL3200530

SCHEMBL3200530

NCCCCCCN1CCOCC1

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.83
SMN1; SMN2 Q16637 1/20 0.83
HPGD P15428 1/20 0.46
DUSP3 P51452 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
POLB P06746 1/20 0.44
KDM1A O60341 1/20 0.44
LMNA P02545 1/20 0.43
HRH3 Q9Y5N1 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
SCHEMBL1703703 1.00 KEAP1 (0.83) KEAP1SMN1; SMN2HPGDDUSP3KDM4E
SCHEMBL8560109 1.00 KEAP1 (0.83) KEAP1SMN1; SMN2HPGDDUSP3KDM4E
SCHEMBL5988693 1.00 KEAP1 (0.83) KEAP1SMN1; SMN2HPGDDUSP3KDM4E
SCHEMBL5903339 1.00 KEAP1 (0.83) KEAP1SMN1; SMN2HPGDDUSP3KDM4E
SCHEMBL179978 0.98 KEAP1 (0.86) KEAP1SMN1; SMN2HPGDDUSP3KDM4E
SCHEMBL19922 0.91 KEAP1 (1.00) KEAP1SMN1; SMN2HPGDDUSP3KDM4E
SCHEMBL13878256 0.90 KEAP1 (0.73) KEAP1SMN1; SMN2HPGDDUSP3KDM4E
Hydrochloric Acid SCHEMBL11880824 0.88 KEAP1 (0.95) KEAP1SMN1; SMN2HPGDDUSP3KDM4E
Hydrochloric Acid SCHEMBL8934456 0.88 KEAP1 (0.95) KEAP1SMN1; SMN2HPGDDUSP3KDM4E
Ammonia Solution, Strong SCHEMBL1579906 0.88 KEAP1 (0.95) KEAP1SMN1; SMN2HPGDDUSP3KDM4E

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4670521-A Process for producing tertiary amino group-containing vinyl polymers and curable resin compositions based on these polymers DAINIPPON INK AND CHEMICALS, INC. (JP) 1987-06-02 US claimed
US-4634736-A PAINTS DAINIPPON INK & CHEMICALS (JP) 1987-01-06 US claimed
WO-2023071601-A1 DESLORATADINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 天津市昕晨投资发展有限公司 2023-05-04 WO disclosed
EP-2121771-B2 NOVEL RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2016-12-07 EP disclosed
US-8338499-B2 Amine co-initiators for radiation curable compositions AGFA GRAPHICS NV (BE) 2012-12-25 US disclosed
EP-2121771-B1 NOVEL RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2012-06-27 EP disclosed
US-20100041784-A1 NOVEL RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2010-02-18 US disclosed
EP-2121771-A1 NOVEL RADIATION CURABLE COMPOSITIONS AGFA Graphics NV (BE) 2009-11-25 EP disclosed
WO-2008074758-A1 NOVEL RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2008-06-26 WO disclosed
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
US-5424451-A Used as cholinesterase activity inhibitors MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1995-06-13 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed
US-5302593-A Aminoalkylcarbamic esters of eseroline suitable for use as chlorinesterase activity inhibitors MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1994-04-12 US disclosed
EP-0575954-A1 Aminoalkylcarbamic esters of eseroline suitable for use as cholinesterase acitivity inhibitors and relative preparation process MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1993-12-29 EP disclosed
EP-0156210-B1 CURABLE RESIN COMPOSITIONS BASED ON TERTIARY AMINO GROUP-CONTAINING VINYL POLYMERS DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-06-13 EP disclosed
US-4739083-A REACTING 1,3-DIOXAN-4-ONE WITH (AMINE OR IMINE) SUBSTITUTED AMIDE DAICEL CHEMICAL INDUSTRIES LTD. (JP) 1988-04-19 US disclosed
US-4670521-A Process for producing tertiary amino group-containing vinyl polymers and curable resin compositions based on these polymers DAINIPPON INK AND CHEMICALS, INC. (JP) 1987-06-02 US disclosed
US-4634736-A PAINTS DAINIPPON INK & CHEMICALS (JP) 1987-01-06 US disclosed
EP-0156210-A2 Curable resin compositions based on tertiary amino group-containing vinyl polymers DAINIPPON INK AND CHEMICALS, INC. (JP) 1985-10-02 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-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 KEAP1 1243/4885SMN1; SMN2 2242/4885HPGD 638/4885

“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.