SCHEMBL2314890

SCHEMBL2314890

O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.62
KMT2A Q03164 8/20 0.62
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 4/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
GRK2 P25098 1/20 0.46

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
SCHEMBL2319308 0.89 MEN1 (0.61) MEN1KMT2AL3MBTL1MAPTPOLB
SCHEMBL2315475 0.88 POLB (0.62) MEN1KMT2AL3MBTL1MAPTPOLB
SCHEMBL2314629 0.86 SCD (0.59) MEN1KMT2AL3MBTL1MAPTPOLB
SCHEMBL2317224 0.85 MMP13 (0.59) MEN1KMT2AL3MBTL1MAPTPOLB
SCHEMBL2314925 0.85 ALDH1A1 (0.56) MEN1KMT2AL3MBTL1POLBALDH1A1
SCHEMBL2318753 0.83 SCD (0.54) MEN1KMT2AL3MBTL1MAPTPOLB
SCHEMBL2317979 0.83 L3MBTL1 (0.51) MEN1KMT2AL3MBTL1MAPTPOLB
SCHEMBL2315222 0.80 GRK2 (0.50) SMN1; SMN2ALDH1A1GRK2
SCHEMBL30656820 0.80 L3MBTL1 (0.68) MEN1KMT2AL3MBTL1MAPTPOLB
SCHEMBL16972799 0.80 L3MBTL1 (0.68) MEN1KMT2AL3MBTL1MAPTPOLB

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 MEN1 4669/4885KMT2A 1774/4885L3MBTL1 1708/4885
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 MEN1 4669/4885KMT2A 1774/4885L3MBTL1 1708/4885

“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.