SCHEMBL15515230

SCHEMBL15515230

[CH2]C(CCN1CCOCC1)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
USP2 O75604 1/20 0.39
GLA P06280 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ACHE P22303 2/20 0.38
HPGD P15428 1/20 0.35
DUSP3 P51452 1/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
POLB P06746 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL5238996 0.92 SLC6A2 (0.39) KEAP1SMN1; SMN2KDM4EALDH1A1USP2
SCHEMBL9085403 0.90 SLC6A2 (0.38) KEAP1SMN1; SMN2KDM4EALDH1A1SLC6A2
SCHEMBL4526655 0.88 KEAP1 (0.48) KEAP1SMN1; SMN2KDM4EALDH1A1USP2
SCHEMBL5419103 0.81 KEAP1 (0.41) KEAP1SMN1; SMN2KDM4EALDH1A1SLC6A2
SCHEMBL11883477 0.78 USP2 (0.52) KEAP1SMN1; SMN2KDM4EALDH1A1USP2
SCHEMBL231163 0.77 KMT2A (0.37) SMN1; SMN2ALDH1A1USP2HPGDTSHR
SCHEMBL27586544 0.77 ALDH1A1 (0.39) KDM4EALDH1A1USP2HPGDPOLB
SCHEMBL17393052 0.77 ALDH1A1 (0.43) KEAP1SMN1; SMN2KDM4EALDH1A1USP2
SCHEMBL646006 0.76 KEAP1 (0.39) KEAP1SMN1; SMN2KDM4EALDH1A1USP2
SCHEMBL11708888 0.75 USP2 (0.48) KEAP1SMN1; SMN2KDM4EALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2892534-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-08-04 EP disclosed
US-10227357-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-03-12 US disclosed
EP-2892534-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2015-07-15 EP disclosed
US-20140128390-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-05-08 US disclosed
WO-2014039714-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-03-13 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 (2 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-10227357-B2 Compounds and methods for kinase modulation, and indications therefor KIT, PRKCH, PRKACA KEAP1 2938/4885SMN1; SMN2 2565/4885KDM4E 1125/4885
US-20140128390-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA KEAP1 2938/4885SMN1; SMN2 2565/4885KDM4E 1125/4885

“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.