SCHEMBL5235641

SCHEMBL5235641

N#Cc1c(CN2CCOCC2)cccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.48
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MCL1 Q07820 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ACHE P22303 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
KCNJ1 P48048 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP2A13 Q16696 5/20 0.46
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL5237547 0.88 MEN1 (0.51) POLBL3MBTL1MEN1KMT2AACHE
SCHEMBL9008678 0.83 ACHE (0.65) CTSBPOLBSMN1; SMN2MCL1L3MBTL1
SCHEMBL3721123 0.81 CYP2A13 (0.54) CTSBPOLBSMN1; SMN2MCL1L3MBTL1
SCHEMBL249415 0.81 CYP2A13 (0.54) CTSBPOLBSMN1; SMN2MCL1L3MBTL1
SCHEMBL249019 0.81 ALDH1A1 (0.49) CTSBPOLBSMN1; SMN2MCL1L3MBTL1
SCHEMBL5235507 0.79 CTSB (0.48) CTSBPOLBSMN1; SMN2MCL1L3MBTL1
SCHEMBL5235027 0.78 ALDH1A1 (0.59) CTSBPOLBSMN1; SMN2L3MBTL1MEN1
SCHEMBL5239956 0.78 CYP2D6 (0.64) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL356201 0.78 KMT2A (0.51) CTSBPOLBSMN1; SMN2MCL1L3MBTL1
SCHEMBL5235514 0.78 ACHE (0.49) CTSBPOLBSMN1; SMN2MCL1L3MBTL1

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 5 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
EP-1507776-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS Amgen Inc. (US) 2005-02-23 EP disclosed
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN INC. 2003-12-11 US disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 WO 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 CTSB 1130/4885POLB 1078/4885SMN1; SMN2 318/4885

“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.