SCHEMBL4038906

SCHEMBL4038906

O=C(O)C1=Cc2ccccc2Oc2cc(Cl)ccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.71
MAPT P10636 3/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
TP53 P04637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.38
NFKB1 P19838 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
SRD5A2 P31213 2/20 0.37

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
SCHEMBL2829838 0.89 LMNA (0.59) LMNAMAPTDRD2DRD4TP53
SCHEMBL2827619 0.86 LMNA (0.59) LMNAMAPTDRD2DRD4TP53
SCHEMBL4043208 0.83 LMNA (0.70) LMNADRD2DRD4KDM4ECA12
SCHEMBL4041075 0.83 LMNA (0.71) LMNACA12CA9SRD5A2SRD5A1
Hydrochloric Acid SCHEMBL4045240 0.82 LMNA (0.68) LMNADRD2DRD4KDM4ECA12
SCHEMBL7770745 0.80 LMNA (0.46) LMNAMAPTDRD2DRD4TP53
SCHEMBL962986 0.76 MAPT (0.50) LMNAMAPTDRD2DRD4TP53
SCHEMBL7769552 0.75 MAPT (0.43) LMNAMAPTDRD2DRD4TP53
SCHEMBL4038858 0.73 LMNA (0.54) LMNAMAPTDRD2DRD4TP53
SCHEMBL9949074 0.73 CA12 (0.54) LMNAMAPTDRD2DRD4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879573-A4 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORP (US) 2009-07-08 EP claimed
EP-1879573-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME Incyte Corporation (US) 2008-01-23 EP claimed
WO-2006122150-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2006-11-16 WO claimed
US-7612054-B2 Dibenzo[b,f]oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
EP-1651592-B1 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2009-04-29 EP disclosed
US-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2007-05-17 US disclosed
EP-1651592-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2006-05-03 EP disclosed
WO-2005014517-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2005-02-17 WO disclosed
EP-0726265-B1 10-Aminoaliphatyl-dibenz(b,f)oxepins with antineurodegenarative activity NOVARTIS AG (CH) 2001-07-25 EP disclosed
EP-0726265-A1 10-Aminoaliphatyl-dibenz(b,f)oxepins with antineurodegenarative activity CIBA-GEIGY AG (CH) 1996-08-14 EP 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-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof APP, BACE1, BCHE LMNA 2840/4885MAPT 69/4885DRD2 192/4885

“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.