SCHEMBL17282999

SCHEMBL17282999

C[C@H](N)C(O)c1[nH]ncc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NOS1 P29475 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
HPGD P15428 2/20 0.37
CYP2C19 P33261 2/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 1/20 0.37
APEX1 P27695 1/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5021113 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTL3MBTL1NOS1
SCHEMBL9353516 0.74 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2MAPTL3MBTL1NOS1
SCHEMBL31555007 0.74 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MAPTL3MBTL1NOS1
SCHEMBL16411604 0.74 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MAPTL3MBTL1NOS1
SCHEMBL9355658 0.71 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2MAPTL3MBTL1NOS1
SCHEMBL15528437 0.71 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTL3MBTL1NOS1
SCHEMBL9278954 0.70 MAPT (0.47) ALDH1A1SMN1; SMN2MAPTNOS1MEN1
SCHEMBL27912633 0.69 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTL3MBTL1NOS1
SCHEMBL17275486 0.69 PKM (0.40) MAPTMEN1KMT2AKDM4ECYP1A2
SCHEMBL28625430 0.69 PKM (0.40) MAPTMEN1KMT2AKDM4ECYP1A2

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
US-10392422-B2 Macrocyclic broad spectrum antibiotics RQX PHARMACEUTICALS, INC. (US) 2019-08-27 US disclosed
US-10351595-B2 2019-07-16 US disclosed
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2017-03-30 US disclosed
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2017-03-30 US disclosed
WO-2015179441-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2015-11-26 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-10351595-B2 MRPL21, PRSS1, PEPD ALDH1A1 2620/4885SMN1; SMN2 1787/4885MAPT 4313/4885
US-10392422-B2 Macrocyclic broad spectrum antibiotics MRPL21, PEPD, CTSC ALDH1A1 2364/4885SMN1; SMN2 1689/4885MAPT 4006/4885
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC ALDH1A1 2364/4885SMN1; SMN2 1689/4885MAPT 4006/4885

“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.