SCHEMBL15054136

SCHEMBL15054136

O=C(O)C(=O)N(c1ccccc1[N+](=O)[O-])C1CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 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
SCHEMBL15054133 1.00 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
SCHEMBL2218547 0.83 NPSR1 (0.47) ALDH1A1KMT2AKDM4EL3MBTL1MAPT
SCHEMBL19439493 0.76 ALDH1A1 (0.44) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
SCHEMBL18076658 0.75 KMT2A (0.44) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
SCHEMBL27653001 0.74 CTSD (0.43) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
SCHEMBL460830 0.73 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL8859336 0.71 KMT2A (0.46) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL7064399 0.71 PTPN1 (0.48) ALDH1A1KMT2AKDM4EMEN1MAPT
Hydrogen Peroxide SCHEMBL28789392 0.71 GPR35 (0.64) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL4438391 0.70 KMT2A (0.36) ALDH1A1KMT2AKDM4EL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
EP-2794576-A1 NON-SYSTEMIC TGR5 AGONISTS Ardelyx, Inc. (US) 2014-10-29 EP disclosed
WO-2013096771-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2013-06-27 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 (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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS GLP1R, GPR119, TRHR ALDH1A1 3587/4885KMT2A 1662/4885KDM4E 2830/4885

“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.