SCHEMBL2684142

SCHEMBL2684142

COc1ccc(CNC(=O)c2cc(OCc3ccccc3)c(F)cc2NC2CCOCC2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
PKM P14618 1/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPK1 P28482 2/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 2/20 0.54
HPGD P15428 1/20 0.54
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
CTSD P07339 2/20 0.45
APEX1 P27695 1/20 0.44
BRD4 O60885 2/20 0.44
MAPT P10636 1/20 0.44
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL583112 0.82 APEX1 (0.53) NPC1PKMRAB9AALDH1A1SMN1; SMN2
SCHEMBL582525 0.82 CTSV (0.50) NPC1ALDH1A1CTSVCTSLBRD4
SCHEMBL581712 0.82 HDAC3 (0.52) ALDH1A1SMN1; SMN2MAPK1LMNAAPEX1
SCHEMBL2681682 0.79 PDE4B (0.49) SMN1; SMN2MAPK1CTSVCTSLBRD4
SCHEMBL2683839 0.78 APEX1 (0.46) PKMALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL2683893 0.78 SMN1; SMN2 (0.48) PKMALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL2684459 0.77 NPC1 (0.52) NPC1PKMRAB9AALDH1A1SMN1; SMN2
SCHEMBL2681785 0.75 NPSR1 (0.48) PKMALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL6942692 0.75 LMNA (0.49) ALDH1A1SMN1; SMN2LMNAHPGDAPEX1
SCHEMBL6942695 0.75 LMNA (0.49) ALDH1A1SMN1; SMN2LMNAHPGDAPEX1

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 5 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-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 NPC1 2153/4885PKM 361/4885RAB9A 2427/4885

“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.