SCHEMBL5237976

SCHEMBL5237976

COc1cccc(-c2ccc(C)c([N+](=O)[O-])c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
NPC1 O15118 2/20 0.51
CASP3 P42574 2/20 0.51
RAB9A P51151 2/20 0.51
SENP7 Q9BQF6 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
FBP1 P09467 1/20 0.47
ABCB1 P08183 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
MAOB P27338 1/20 0.46
BRD4 O60885 1/20 0.46
HDAC4 P56524 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
MAPK1 P28482 1/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL375109 0.86 MAPT (0.53) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL29655122 0.84 TDP1 (0.65) ALDH1A1NPC1CASP3RAB9ASENP7
SCHEMBL4418072 0.84 ABCG2 (0.54) ALDH1A1NPC1CASP3RAB9ASENP7
SCHEMBL4089081 0.84 MAPT (0.53) ALDH1A1NPC1CASP3RAB9ASENP7
SCHEMBL178068 0.82 ALDH1A1 (0.61) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL7190826 0.82 TSHR (0.64) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL15203036 0.80 CRHBP (0.58) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL1514401 0.80 CRHBP (0.58) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL5233562 0.80 NPC1 (0.47) ALDH1A1NPC1CASP3RAB9ASENP7
SCHEMBL6225598 0.80 FBP1 (0.55) NPC1CASP3RAB9ASENP7FBP1

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 ALDH1A1 271/4885NPC1 406/4885CASP3 1/4885

“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.