SCHEMBL2317979

SCHEMBL2317979

O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1ccc(Cl)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.49
SCD O00767 3/20 0.48
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GRK2 P25098 1/20 0.45

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
SCHEMBL2318753 0.92 SCD (0.54) L3MBTL1POLBSCDMEN1KMT2A
SCHEMBL2314629 0.90 SCD (0.59) L3MBTL1POLBSCDMEN1KMT2A
SCHEMBL2315475 0.88 POLB (0.62) L3MBTL1POLBMEN1KMT2AALDH1A1
SCHEMBL2319308 0.87 MEN1 (0.61) L3MBTL1POLBSCDMEN1KMT2A
SCHEMBL2314890 0.83 MEN1 (0.62) L3MBTL1POLBMEN1KMT2AALDH1A1
SCHEMBL2314925 0.83 ALDH1A1 (0.56) L3MBTL1POLBMEN1KMT2AALDH1A1
SCHEMBL2319334 0.82 SCD (0.52) SCDGRK2
SCHEMBL2312673 0.81 ALDH1A1 (0.60) L3MBTL1POLBMEN1KMT2AALDH1A1
SCHEMBL2312966 0.81 SCD (0.59) L3MBTL1POLBSCDMEN1KMT2A
SCHEMBL2317224 0.81 MMP13 (0.59) L3MBTL1POLBMEN1KMT2AALDH1A1

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 L3MBTL1 1708/4885POLB 4378/4885SCD 1/4885
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 L3MBTL1 1708/4885POLB 4378/4885SCD 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.