SCHEMBL4267935

SCHEMBL4267935

CNC(Cc1c[nH]c([N+](=O)[O-])n1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 2/20 0.34
DNMT1 P26358 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
PTPRA P18433 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
PPARG P37231 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL4267927 1.00 MAPT (0.35) MAPTHTTKMT2ADNMT1KDM4E
SCHEMBL3194680 0.78 PTPRA (0.46) MAPTKMT2AKDM4EPTPRACYP2C19
SCHEMBL3194682 0.78 PTPRA (0.46) MAPTKMT2AKDM4EPTPRACYP2C19
SCHEMBL11109785 0.73 MAPT (0.31) MAPTKMT2AKDM4EALDH1A1POLB
SCHEMBL4267930 0.72 MAPT (0.33) MAPTHTTKMT2AKDM4EALDH1A1
SCHEMBL16318734 0.71 TXNRD1 (0.43) MAPTHTTKMT2AKDM4EALDH1A1
SCHEMBL3811168 0.71 ALDH1A1 (0.39) ALDH1A1
SCHEMBL11389549 0.71 TSHR (0.39) ALDH1A1
SCHEMBL6131656 0.71 SIRT2 (0.31) ALDH1A1
SCHEMBL14324382 0.70 CYP3A4 (0.33) MAPTKMT2AKDM4EPPARG

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-7608612-B2 Radiosensitizer formulations and methods for use Matthews, Richard H. (US) 2009-10-27 US disclosed
US-20060193917-A1 Radiosensitizer formulations and methods for use MATTHEWS, RICHARD H., DR. 2006-08-31 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-20060193917-A1 Radiosensitizer formulations and methods for use NOS2, IDH1, HNMT MAPT 3354/4885HTT 1790/4885KMT2A 1869/4885

“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.