SCHEMBL3701823

SCHEMBL3701823

O=[N+]([O-])c1ccc(OCC2CO2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
PKM P14618 1/20 0.51
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50
ALDH1A1 P00352 7/20 0.46
HSPB1 P04792 3/20 0.46
CYP1A2 P05177 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
PMP22 Q01453 1/20 0.44
DRD4 P21917 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
TTR P02766 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
SCHEMBL30121999 1.00 MAPT (0.51) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL7763921 0.91 MAPT (0.46) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL10545783 0.85 DRD4 (0.48) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL9066974 0.84 KDM4E (0.51) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL7168254 0.84 HSPB1 (0.45) MAPTKMT2ALMNAPKMPRMT5
SCHEMBL5937140 0.84 PRMT5 (0.49) LMNAPKMPRMT5WDR77ALDH1A1
SCHEMBL20761098 0.84 TDP1 (0.54) MAPTMEN1KMT2ALMNAPKM
SCHEMBL5963778 0.84 S1PR4 (0.52) MAPTKMT2ALMNAPKMPRMT5
SCHEMBL12835342 0.84 MAPT (0.51) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL8488406 0.84 CHEK1 (0.48) MAPTMEN1KMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3670500-A1 CHEMICAL COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE AND APPLICATION THEREOF Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2020-06-24 EP disclosed
EP-3670500-A1 CHEMICAL COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE AND APPLICATION THEREOF Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2020-06-24 EP disclosed
US-20200172529-A1 Chemical Compound, Pharmaceutical Composition Thereof, and Use and Application Thereof BEIJING HANMI PHARM. CO., LTD. (CN) 2020-06-04 US disclosed
US-20200172529-A1 Chemical Compound, Pharmaceutical Composition Thereof, and Use and Application Thereof BEIJING HANMI PHARM. CO., LTD. (CN) 2020-06-04 US disclosed
US-9101634-B2 Application of 2, 3-dihydro-3-hydroxymethyl-6-amino-[1,4]-benzoxazine in preparation of drugs inducing embryonic stem cells to differentiate to vascular endothelial cells SHANDONG UNIVERSITY (CN) 2015-08-11 US disclosed
US-20120123116-A1 APPLICATION OF 2, 3 - DIHYDRO-3 - HYDROXYMETHYL -6 - AMINO - [1,4 ] - BENZOXAZINE IN PREPARATION OF DRUGS INDUCING EMBRYONIC STEM CELLS TO DIFFERENTIATE TO VASCULAR ENDOTHELIAL CELLS SHANDONG UNIVERSITY (CN) 2012-05-17 US disclosed
US-4123614-A USED IN DETECTION AND MEASUREMENT OF BIOLOGICAL SYSTEMS AND/OR COMPONENTS SYNTEX (U.S.A.) INC. (US) 1978-10-31 US disclosed
US-4070415-A Thermoplastic molding compositions on the basis of polyoxymethylenes HOECHST AKTIENGESELLSCHAFT (DT) 1978-01-24 US disclosed
US-3980734-A Thermoplastic moulding compositions based on poly (oxymethylene) HOECHST AKTIENGESELLSCHAFT (DT) 1976-09-14 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-20120123116-A1 APPLICATION OF 2, 3 - DIHYDRO-3 - HYDROXYMETHYL -6 - AMINO - [1,4 ] - BENZOXAZINE IN PREPARATION OF DRUGS INDUCING EMBRYONIC STEM CELLS TO DIFFERENTIATE TO VASCULAR ENDOTHELIAL CELLS EDF1, CBX6, MCL1 MAPT 4645/4885MEN1 4815/4885KMT2A 621/4885
US-20200172529-A1 Chemical Compound, Pharmaceutical Composition Thereof, and Use and Application Thereof SYK, JAK1, JAK2 MAPT 335/4885MEN1 3038/4885KMT2A 1231/4885

“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.