SCHEMBL3072376

SCHEMBL3072376

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.57
SRC P12931 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
GSR P00390 1/20 0.39
TSHR P16473 1/20 0.38
CPA1 P15085 3/20 0.38
ALDH1A1 P00352 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
SCHEMBL6809341 0.79 CYP2D6 (0.59) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL11883845 0.78 CYP2D6 (0.57) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL4563568 0.78 CYP2D6 (0.57) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL7815004 0.75 CYP2D6 (1.00) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL659768 0.75 CYP2D6 (1.00) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL7824857 0.75 CYP2D6 (1.00) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL11315838 0.75 CYP2D6 (1.00) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL14935824 0.74 CYP2D6 (0.42) CYP2D6SRCLMNAMAPK1GRM2
SCHEMBL6451941 0.74 CYP2D6 (0.42) CYP2D6SRCLMNAMAPK1GRM2
SCHEMBL6451939 0.74 CYP2D6 (0.42) CYP2D6SRCLMNAMAPK1GRM2

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
CN-117417433-A Preparation method and application of empty MHCI 天津大学 2024-01-19 CN claimed
CN-117417433-A Preparation method and application of empty MHCI 天津大学 2024-01-19 CN disclosed
CN-115776987-A Barcoded exchangeable peptide-MHC multimer libraries 瑞佩尔托利免疫医药股份有限公司 2023-03-10 CN disclosed
CN-112005115-A Methods of characterizing multiple analytes from a single cell or cell population 10X基因组学有限公司 2020-11-27 CN disclosed
US-20100183658-A1 Novel Compounds for Enhancing MHC Class II Therapies THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2010-07-22 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 (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-20100183658-A1 Novel Compounds for Enhancing MHC Class II Therapies HLA-DRB1, CD74, MICA CYP2D6 2866/4885SRC 3466/4885LMNA 4239/4885

“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.