SCHEMBL5345779

SCHEMBL5345779

N=CCCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KEAP1 Q14145 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.38
DUSP3 P51452 1/20 0.38
USP2 O75604 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 2/20 0.35
DAO P14920 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL646005 0.80 KDM4E (0.50) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL235080 0.79 KDM4E (0.65) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL425926 0.76 GLA (0.47) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL524469 0.76 GLA (0.47) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL2595940 0.76 KDM4E (0.46) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL2817042 0.76 KDM4E (0.52) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL21623672 0.76 KDM4E (0.46) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL11856358 0.76 KDM4E (0.70) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL10913328 0.76 KDM4E (0.70) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL5354826 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP claimed
US-20020188122-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2002-12-12 US claimed
US-20020173507-A1 Urea compounds and methods of uses AMGEN INC. 2002-11-21 US claimed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO claimed
EP-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP disclosed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
EP-1619184-A2 Urea compounds as kinase inhibitors Amgen, Inc. (US) 2006-01-25 EP disclosed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US disclosed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US disclosed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US disclosed
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US disclosed
US-20020173507-A1 Urea compounds and methods of uses AMGEN INC. 2002-11-21 US disclosed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 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 (5 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-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX KDM4E 2714/4885SMN1; SMN2 1511/4885KEAP1 262/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX KDM4E 1709/4885SMN1; SMN2 869/4885KEAP1 382/4885
US-20020188122-A1 Novel compounds IL2, IFNG, IL1RN KDM4E 2115/4885SMN1; SMN2 4097/4885KEAP1 2681/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX KDM4E 2714/4885SMN1; SMN2 1511/4885KEAP1 262/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX KDM4E 2714/4885SMN1; SMN2 1511/4885KEAP1 262/4885

“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.