SCHEMBL4561816

SCHEMBL4561816

Cc1c(Cl)c([N+](=O)[O-])nn1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PKM P14618 1/20 0.35
CYP3A4 P08684 1/20 0.35
RAB9A P51151 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL4561813 0.78 KMT2A (0.41) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL31603040 0.72 KDM4E (0.36) ALDH1A1KDM4EKMT2AMAPTLMNA
SCHEMBL4561817 0.69 PKM (0.48) ALDH1A1L3MBTL1KMT2AMEN1POLB
SCHEMBL27504375 0.68 ALDH1A1 (0.47) ALDH1A1L3MBTL1ATMKMT2AMEN1
SCHEMBL2760501 0.68 ALDH1A1 (0.69) ALDH1A1L3MBTL1ATMKMT2AMEN1
SCHEMBL27504374 0.68 ALDH1A1 (0.47) ALDH1A1L3MBTL1ATMKMT2AMEN1
SCHEMBL28848233 0.68 ALDH1A1 (0.43) ALDH1A1L3MBTL1ATMKDM4EKMT2A
SCHEMBL1520665 0.67 L3MBTL1 (0.64) ALDH1A1L3MBTL1ATMKMT2AMEN1
SCHEMBL8280386 0.67 MAPT (0.46) ALDH1A1L3MBTL1ATMKDM4EKMT2A
SCHEMBL29018436 0.65 PKM (0.32) ALDH1A1KMT2AMEN1SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059841-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2013-03-07 US disclosed
US-20120115959-A1 Therapeutic Compositions And Methods THE TEXAS A&M UNIVERSITY SYSTEM 2012-05-10 US disclosed
US-20120071485-A1 Therapeutic Compositions And Methods THE TEXAS A&M UNIVERSITY SYSTEM 2012-03-22 US disclosed
US-8088773-B2 Therapeutic compositions and methods THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-01-03 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 (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-20120115959-A1 Therapeutic Compositions And Methods PDE6C, PDE6H, PDE6D ALDH1A1 576/4885L3MBTL1 3672/4885ATM 2742/4885
US-20120071485-A1 Therapeutic Compositions And Methods PDE6H, PDE6C, PDE6D ALDH1A1 721/4885L3MBTL1 4134/4885ATM 3008/4885
US-20130059841-A1 THERAPEUTIC COMPOSITIONS AND METHODS PDE6H, PDE6C, PDE6D ALDH1A1 721/4885L3MBTL1 4134/4885ATM 3008/4885

“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.