SCHEMBL4364798

SCHEMBL4364798

CS(=O)(=O)c1nccc(Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HTT P42858 1/20 0.50
TXNRD1 Q16881 8/20 0.43
MERTK Q12866 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
SLC40A1 Q9NP59 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
PIN1 Q13526 1/20 0.34
IKBKB O14920 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
SCHEMBL4359579 0.79 HTT (0.51) ALDH1A1HTTMERTKMEN1KMT2A
SCHEMBL4361885 0.76 NR4A1 (0.43) LMNASMN1; SMN2IKBKB
SCHEMBL28281419 0.74 PGR (0.44) ALDH1A1HTTKDM4ECYP3A4LMNA
SCHEMBL6972835 0.74 SDHB (0.40) ALDH1A1HTTKDM4ECYP3A4LMNA
SCHEMBL4936641 0.72 PIN1 (0.46) ALDH1A1HTTMERTKMEN1KMT2A
SCHEMBL10845927 0.72 TLR4 (0.54) ALDH1A1HTTTXNRD1MEN1KMT2A
SCHEMBL4543292 0.71 ALDH1A1 (0.64) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL8669831 0.70 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL27836920 0.69 KMT2A (0.41) ALDH1A1HTTTXNRD1MEN1KMT2A
SCHEMBL4365660 0.68 KDR (0.44) ALDH1A1HTTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
US-7521579-B2 Process for the preparation of alpha hydroxycarboxylic acid amides SYNGENTA CROP PROTECTION, INC. (US) 2009-04-21 US disclosed
EP-1444195-B1 PROCESS FOR THE PREPARATION OF ALPHA-HYDROXYCARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-08-10 EP disclosed
EP-1526128-A2 Process the preparation of alpha-hydroxycarboxylic acid amides Syngenta Participations AG (CH) 2005-04-27 EP disclosed
US-20050014950-A1 Process for the preparation of alpha hydroxycarboxylic acid amides SYNGENTA CROP PROTECTION, INC. 2005-01-20 US disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 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-20050014950-A1 Process for the preparation of alpha hydroxycarboxylic acid amides HCAR1, HCAR3, HCAR2 ALDH1A1 103/4885HTT 541/4885TXNRD1 3439/4885
US-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS ALDH1A1 255/4885HTT 1040/4885TXNRD1 1384/4885

“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.