SCHEMBL5238946

SCHEMBL5238946

O=CC=CC=Cc1ccc2c(c1[N+](=O)[O-])OCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.55
TXNRD3 Q86VQ6 1/20 0.55
TXNRD2 Q9NNW7 1/20 0.55
NPC1 O15118 1/20 0.37
MTOR P42345 1/20 0.37
RAB9A P51151 1/20 0.37
VCP P55072 1/20 0.37
MAPT P10636 7/20 0.36
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
POLB P06746 1/20 0.34
MCL1 Q07820 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL1426690 0.84 TXNRD1 (0.66) TXNRD1TXNRD3TXNRD2NPC1MTOR
SCHEMBL4994296 0.79 TXNRD1 (0.62) TXNRD1TXNRD3TXNRD2NPC1MTOR
SCHEMBL774345 0.79 TXNRD1 (0.62) TXNRD1TXNRD3TXNRD2NPC1MTOR
SCHEMBL1613615 0.78 TXNRD1 (0.55) TXNRD1TXNRD3TXNRD2NPC1MTOR
SCHEMBL773992 0.70 TXNRD1 (0.68) TXNRD1TXNRD3TXNRD2NPC1MTOR
SCHEMBL5239589 0.70 TXNRD1 (0.68) TXNRD1TXNRD3TXNRD2NPC1MTOR
SCHEMBL4624309 0.70 TXNRD1 (0.62) TXNRD1TXNRD3TXNRD2MAPTALDH1A1
SCHEMBL3328445 0.69 TXNRD1 (0.66) TXNRD1TXNRD3TXNRD2NPC1MTOR
SCHEMBL1403602 0.68 MAOB (0.48) TXNRD1TXNRD3TXNRD2ALDH1A1KDM4E
SCHEMBL1403601 0.68 MAOB (0.48) TXNRD1TXNRD3TXNRD2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507776-B1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC (US) 2007-02-28 EP disclosed
US-7119111-B2 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN, INC. (US) 2006-10-10 US disclosed
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN INC. 2003-12-11 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-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use CASP3, BAX, BAD TXNRD1 552/4885TXNRD3 408/4885TXNRD2 41/4885

“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.