SCHEMBL19939637

SCHEMBL19939637

Cc1ccc(N)c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.69
TXNRD3 Q86VQ6 1/20 0.69
TXNRD2 Q9NNW7 1/20 0.69
MAPT P10636 8/20 0.60
LMNA P02545 2/20 0.60
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 3/20 0.54
HTT P42858 3/20 0.53
NPSR1 Q6W5P4 2/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PDE7A Q13946 4/20 0.50
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP3A4 P08684 2/20 0.49
PSMD14 O00487 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL1032814 0.83 TXNRD1 (1.00) TXNRD1TXNRD3TXNRD2MAPTLMNA
SCHEMBL21096624 0.82 TXNRD1 (0.63) TXNRD1TXNRD3TXNRD2MAPTLMNA
SCHEMBL2964985 0.81 PDE7A (0.70) TXNRD1TXNRD3TXNRD2MAPTLMNA
SCHEMBL8973665 0.76 TXNRD1 (0.72) TXNRD1TXNRD3TXNRD2MAPTLMNA
SCHEMBL5024763 0.74 TXNRD1 (0.58) TXNRD1TXNRD3TXNRD2MAPTLMNA
SCHEMBL8530183 0.74 TXNRD1 (0.58) TXNRD1TXNRD3TXNRD2MAPTLMNA
SCHEMBL29419968 0.73 TXNRD1 (0.72) TXNRD1TXNRD3TXNRD2MAPTLMNA
SCHEMBL7597811 0.73 TSHR (0.62) TXNRD1TXNRD3TXNRD2MAPTLMNA
SCHEMBL114132 0.73 TXNRD1 (0.72) TXNRD1TXNRD3TXNRD2MAPTLMNA
SCHEMBL16678757 0.72 TXNRD1 (0.53) TXNRD1TXNRD3TXNRD2MAPTLMNA

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-20230295101-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2023-09-21 US disclosed
US-20180065941-A1 PHENOTHIAZINE ANALOGUES AS MITOCHONDRIAL THERAPEUTIC AGENTS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-08 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-20180065941-A1 PHENOTHIAZINE ANALOGUES AS MITOCHONDRIAL THERAPEUTIC AGENTS GSR, COQ8A, TXNRD2 TXNRD1 135/4885TXNRD3 247/4885TXNRD2 3/4885
US-20230295101-A1 THERAPEUTIC COMPOUNDS CFTR, C1R, FURIN TXNRD1 1515/4885TXNRD3 707/4885TXNRD2 1466/4885

“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.