SCHEMBL582525

SCHEMBL582525

O=C(O)c1cc(OCc2ccccc2)c(F)cc1NC1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSV O60911 5/20 0.50
CTSL P07711 5/20 0.50
BRD4 O60885 4/20 0.49
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
SGMS2 Q8NHU3 1/20 0.42
S1PR5 Q9H228 1/20 0.41
FOLH1 Q04609 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL2681682 0.88 PDE4B (0.49) CTSVCTSLBRD4
SCHEMBL2684142 0.82 NPC1 (0.55) CTSVCTSLBRD4ALDH1A1NPC1
SCHEMBL11922624 0.81 ALDH1A1 (0.47) CTSVCTSLBRD4MEN1ALDH1A1
SCHEMBL25298462 0.75 FOLH1 (0.55) CTSVCTSLBRD4MEN1ALDH1A1
SCHEMBL15968165 0.75 FOLH1 (0.55) CTSVCTSLBRD4ALDH1A1NPC1
SCHEMBL16585652 0.75 FOLH1 (0.58) CTSVCTSLMEN1ALDH1A1KMT2A
SCHEMBL30442197 0.75 FOLH1 (0.55) CTSVCTSLBRD4MEN1ALDH1A1
SCHEMBL582711 0.74 FOLH1 (0.51) CTSVCTSLBRD4ALDH1A1NPC1
SCHEMBL1446554 0.74 KAT2B (0.44) BRD4FOLH1MCL1
SCHEMBL4511114 0.72 ROCK2 (0.56) CTSVCTSLMEN1ALDH1A1KMT2A

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 9 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
EP-2417130-A2 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF SANOFI (FR) 2012-02-15 EP disclosed
WO-2010116088-A2 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2010-10-14 WO 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 2628/4885BRD4 632/4885

“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.