SCHEMBL2315475

SCHEMBL2315475

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

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.56
MMP13 P45452 3/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
MAPK1 P28482 1/20 0.51
SOS1 Q07889 1/20 0.48
SLC29A1 Q99808 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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) POLBL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL2314890 0.88 MEN1 (0.62) POLBL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL2317979 0.88 L3MBTL1 (0.51) POLBL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL2318753 0.88 SCD (0.54) POLBL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL2314925 0.87 ALDH1A1 (0.56) POLBL3MBTL1MMP13MEN1KMT2A
SCHEMBL2314629 0.86 SCD (0.59) POLBL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL2317224 0.85 MMP13 (0.59) POLBL3MBTL1MMP13MEN1KMT2A
SCHEMBL2316691 0.80 ALDH1A1 (0.56) POLBL3MBTL1MMP13MEN1KMT2A
SCHEMBL2312920 0.80 MMP13 (0.60) MMP13MEN1KMT2AHTTSMN1; SMN2
SCHEMBL6302269 0.80 MMP13 (0.60) MMP13MEN1KMT2AHTTSMN1; SMN2

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 POLB 4378/4885L3MBTL1 1708/4885MMP13 2270/4885
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 POLB 4378/4885L3MBTL1 1708/4885MMP13 2270/4885

“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.