SCHEMBL38773

SCHEMBL38773

O=C(O)COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.63
PLA2G4B P0C869 1/20 0.59
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55
ALOX5 P09917 1/20 0.55
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
MAOB P27338 1/20 0.54
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL656493 0.92 ALDH1A1 (0.60) PLA2G4BPOLBLMNAMAOBALDH1A1
SCHEMBL8769925 0.90 ALDH1A1 (0.61) PLA2G4BPOLBLMNAMAOBALDH1A1
Hydrochloric Acid SCHEMBL11838297 0.90 ALDH1A1 (0.58) PLA2G4BPOLBLMNAMAOBALDH1A1
SCHEMBL8769923 0.90 ALDH1A1 (0.58) PLA2G4BPOLBLMNAMAOBALDH1A1
Water SCHEMBL8769949 0.89 ALDH1A1 (0.59) PLA2G4BPOLBLMNAMAOBALDH1A1
SCHEMBL9188689 0.87 ALDH1A1 (0.56) PLA2G4BPOLBLMNAMAOBALDH1A1
SCHEMBL38644 0.85 SRD5A2 (0.60) SRD5A2PLA2G4BPOLBMAPK1LMNA
SCHEMBL16035699 0.85 ALOX15 (0.65) SRD5A2GAAALDH1A1SMN1; SMN2
SCHEMBL17141840 0.84 PLA2G4B (0.59) PLA2G4BPOLBLMNAMAOBALDH1A1
SCHEMBL9189255 0.83 PTGS2 (0.72) PLA2G4BPOLBLMNAMAOBALDH1A1

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-8426390-B2 Triazene compounds for the treatment of cancer TRIN THERAPEUTICS GMBH (DE) 2013-04-23 US disclosed
US-8426390-B2 Triazene compounds for the treatment of cancer TRIN THERAPEUTICS GMBH (DE) 2013-04-23 US disclosed
US-20120028927-A1 Novel Triazene Compounds For The Treatment Of Cancer TRIN THERAPEUTICS GMBH (DE) 2012-02-02 US disclosed
US-20120028927-A1 Novel Triazene Compounds For The Treatment Of Cancer TRIN THERAPEUTICS GMBH (DE) 2012-02-02 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-20120028927-A1 Novel Triazene Compounds For The Treatment Of Cancer KRAS, TP53, VHL SRD5A2 3680/4885PLA2G4B 3795/4885POLB 49/4885

“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.