SCHEMBL2317224

SCHEMBL2317224

COc1ccc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 4/20 0.59
▸ MAPT P10636 4/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ POLB P06746 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ SLC29A1 Q99808 1/20 0.50
▸ SLC22A8 Q8TCC7 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ GAA P10253 1/20 0.48

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 0.86 MEN1 (0.61) MAPTL3MBTL1MEN1KMT2APOLB
SCHEMBL2314890 0.85 MEN1 (0.62) MAPTL3MBTL1MEN1KMT2APOLB
SCHEMBL2315475 0.85 POLB (0.62) MMP13MAPTL3MBTL1MEN1KMT2A
SCHEMBL7032527 0.85 QPCT (0.53) MAPTL3MBTL1MEN1KMT2ASLC29A1
SCHEMBL2314629 0.83 SCD (0.59) MAPTL3MBTL1MEN1KMT2APOLB
SCHEMBL19338476 0.82 MMP13 (0.65) MMP13MAPTPOLBSLC22A8KDM4E
SCHEMBL2314925 0.82 ALDH1A1 (0.56) MMP13L3MBTL1MEN1KMT2APOLB
SCHEMBL5424440 0.82 MMP13 (0.52) MMP13MAPTPOLBMAPK1HTT
SCHEMBL2491607 0.81 MMP13 (0.64) MMP13SLC22A8KDM4E
SCHEMBL29147374 0.81 MMP13 (0.64) MMP13MAPTLMNASLC22A8KDM4E

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 MMP13 2270/4885MAPT 4221/4885L3MBTL1 1708/4885
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 MMP13 2270/4885MAPT 4221/4885L3MBTL1 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.

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