SCHEMBL2312673

SCHEMBL2312673

O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1ccc(F)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
MAPK1 P28482 3/20 0.60
MAPT P10636 12/20 0.56
KMT2A Q03164 9/20 0.56
MEN1 O00255 8/20 0.56
LMNA P02545 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
HTT P42858 4/20 0.53
POLB P06746 2/20 0.53
GAA P10253 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
SLC29A1 Q99808 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL2317452 0.87 MAPT (0.71) ALDH1A1MAPK1MAPTKMT2AMEN1
SCHEMBL2312966 0.84 SCD (0.59) ALDH1A1MAPK1MAPTKMT2AMEN1
SCHEMBL2312156 0.83 MAPT (0.60) ALDH1A1MAPK1MAPTKMT2AMEN1
SCHEMBL2318753 0.81 SCD (0.54) ALDH1A1MAPK1MAPTKMT2AMEN1
SCHEMBL2317979 0.81 L3MBTL1 (0.51) ALDH1A1MAPK1MAPTKMT2AMEN1
SCHEMBL2315109 0.81 PDE5A (0.50)
SCHEMBL2315475 0.79 POLB (0.62) ALDH1A1MAPK1MAPTKMT2AMEN1
SCHEMBL2319308 0.78 MEN1 (0.61) ALDH1A1MAPK1MAPTKMT2AMEN1
SCHEMBL2314629 0.75 SCD (0.59) ALDH1A1MAPK1MAPTKMT2AMEN1
SCHEMBL13246048 0.74 PKM (0.72) ALDH1A1MAPK1MAPTKMT2AMEN1

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
EP-2350029-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS Gilead Sciences, Inc. (US) 2011-08-03 EP disclosed
WO-2010056230-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2010-05-20 WO disclosed
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2009-04-23 US disclosed
US-20080255161-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2008-10-16 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-20080255161-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 ALDH1A1 994/4885MAPK1 2689/4885MAPT 4221/4885
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 ALDH1A1 994/4885MAPK1 2689/4885MAPT 4221/4885

“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.