SCHEMBL20359209

SCHEMBL20359209

CN[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
CA2 P00918 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
POLB P06746 1/20 0.46
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
MAOB P27338 1/20 0.43
LMNA P02545 1/20 0.43
BACE1 P56817 1/20 0.42

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
SCHEMBL13398403 0.85 MEN1 (0.47) CA2ALDH1A1NPC1TP53RAB9A
SCHEMBL27549589 0.85 MEN1 (0.47) CA2ALDH1A1NPC1TP53RAB9A
Hydrochloric Acid SCHEMBL7986763 0.82 LMNA (0.47) CA2ALDH1A1NPC1TP53RAB9A
SCHEMBL13227699 0.81 ITGA4 (0.58) ADRB2ADRB1ADRB3CA2ALDH1A1
SCHEMBL15092902 0.79 CA2 (0.56) CA2NPC1TP53RAB9ASMN1; SMN2
SCHEMBL19368953 0.79 KMT2A (0.49) CA2ALDH1A1NPC1TP53RAB9A
SCHEMBL13223715 0.79 CA2 (0.56) CA2NPC1TP53RAB9ASMN1; SMN2
SCHEMBL1225145 0.79 CA2 (0.56) CA2NPC1TP53RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL22091741 0.79 KCNJ1 (0.46) CA2NPC1TP53RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL22091743 0.79 KCNJ1 (0.46) CA2NPC1TP53RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550072-B2 Amino acid derivatives and absorbable polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2020-02-04 US disclosed
US-20180194717-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL LLC (US) 2018-07-12 US 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-10550072-B2 Amino acid derivatives and absorbable polymers therefrom SRRM2, SLC7A1, BCAT2 ADRB2 2536/4885ADRB1 2777/4885ADRB3 2388/4885
US-20180194717-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM SRRM2, SLC7A1, BCAT2 ADRB2 2536/4885ADRB1 2777/4885ADRB3 2388/4885

“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.