SCHEMBL2682298

SCHEMBL2682298

CCOC(=O)c1cc(OCc2ccccc2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.49
CTSL P07711 4/20 0.49
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HSP90AA1 P07900 2/20 0.44
MAPT P10636 3/20 0.44
PPIA P62937 1/20 0.44
CYP19A1 P11511 1/20 0.43
BRD4 O60885 1/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GALR2 O43603 1/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
CCR6 P51684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL11922562 0.89 CTSV (0.53) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL582235 0.86 CTSV (0.60) CTSVCTSLCYP19A1POLBPTGES
SCHEMBL31235825 0.86 CTSV (0.60) CTSVCTSLCYP19A1POLBPTGES
SCHEMBL5065157 0.83 CTSV (0.50) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL13903537 0.83 CTSV (0.43) CTSVCTSLMEN1KMT2AHSP90AA1
SCHEMBL20897393 0.82 CTSV (0.52) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL2684149 0.81 ALDH1A1 (0.49) MEN1KMT2AHSP90AA1MAPTPPIA
SCHEMBL3620743 0.81 CTSV (0.48) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL3515854 0.81 L3MBTL1 (0.45) CTSVCTSLMEN1KMT2AHSP90AA1
SCHEMBL3518722 0.81 L3MBTL1 (0.45) CTSVCTSLMEN1KMT2AHSP90AA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722659-B2 Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof SANOFI (FR) 2014-05-13 US disclosed
US-8722659-B2 Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof SANOFI (FR) 2014-05-13 US disclosed
US-8722659-B2 Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof SANOFI (FR) 2014-05-13 US disclosed
US-20120115846-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF. SANOFI (FR) 2012-05-10 US disclosed
US-20120115846-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF. SANOFI (FR) 2012-05-10 US disclosed
US-20120115846-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF. SANOFI (FR) 2012-05-10 US disclosed
WO-2010116088-A2 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2010-10-14 WO 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 (1 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-20120115846-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF. CYP27B1, NDUFB3, MT-ND5 CTSV 3300/4885CTSL 2628/4885MEN1 1747/4885

“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.