SCHEMBL15570675

SCHEMBL15570675

O=C(O)NCCOCCOCCNC(=O)n1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 2/20 0.31
CYP19A1 P11511 1/20 0.30
TBXAS1 P24557 2/20 0.30

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
SCHEMBL19990890 0.92 L3MBTL1 (0.35) SMN1; SMN2ALDH1A1TDP1L3MBTL1LMNA
SCHEMBL17112312 0.88 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1EGLN3L3MBTL1CYP19A1
SCHEMBL6094890 0.87 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1TDP1MEN1KMT2A
SCHEMBL17209724 0.84 L3MBTL1 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL12031906 0.84 L3MBTL1 (0.33) SMN1; SMN2ALDH1A1TDP1L3MBTL1LMNA
SCHEMBL20393801 0.81 TDP1 (0.38) TDP1MEN1KMT2AL3MBTL1
SCHEMBL7724075 0.80 BCHE (0.40) SMN1; SMN2ALDH1A1TDP1KDM4E
SCHEMBL25347953 0.80 CYP19A1 (0.34) L3MBTL1CYP19A1
SCHEMBL3225482 0.80 SMN1; SMN2 (0.50) SMN1; SMN2LMNACYP19A1
SCHEMBL30980576 0.79 LMNA (0.64) SMN1; SMN2L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10376481-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2019-08-13 US disclosed
EP-2887964-B1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX INC (US) 2019-07-03 EP disclosed
US-20170368004-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. 2017-12-28 US disclosed
US-20150336892-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC (US) 2015-11-26 US disclosed
EP-2887964-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS Ardelyx, Inc. (US) 2015-07-01 EP disclosed
WO-2014029983-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. (US) 2014-02-27 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 (3 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-10376481-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders SLC10A1, SLC10A2, FABP2 SMN1; SMN2 3902/4885ALDH1A1 1732/4885TDP1 4348/4885
US-20150336892-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS SLC10A1, SLC10A2, FABP2 SMN1; SMN2 3902/4885ALDH1A1 1732/4885TDP1 4348/4885
US-20170368004-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS SLC10A1, SLC10A2, FABP2 SMN1; SMN2 3902/4885ALDH1A1 1732/4885TDP1 4348/4885

“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.