SCHEMBL3789985

SCHEMBL3789985

COc1ccc(Oc2ccc([N+](=O)[O-])cc2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.46
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MEN1 O00255 4/20 0.43
LMNA P02545 4/20 0.43
KMT2A Q03164 4/20 0.43
PDE7A Q13946 2/20 0.42
ALDH1A1 P00352 4/20 0.40
TLR9 Q9NR96 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 3/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
EPAS1 Q99814 1/20 0.39
TBXA2R P21731 1/20 0.39
APP P05067 1/20 0.39
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL4331079 0.85 SLC6A4 (0.44) MAPTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL4323866 0.84 MAOB (0.46) HSPB1MAPTSMN1; SMN2MEN1LMNA
SCHEMBL8072112 0.82 SMN1; SMN2 (0.41) MAPTSMN1; SMN2MEN1KMT2APDE7A
SCHEMBL3790303 0.82 MAPT (0.41) MAPTSMN1; SMN2MEN1LMNAKMT2A
Hydrochloric Acid SCHEMBL3792067 0.81 SMN1; SMN2 (0.40) MAPTSMN1; SMN2MEN1KMT2APDE7A
SCHEMBL3786448 0.81 MAPK1 (0.48) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL3797417 0.80 MAPT (0.40) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL3796523 0.79 MAPT (0.41) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL4336227 0.78 PGR (0.45) SMN1; SMN2MEN1LMNAKMT2AALDH1A1
SCHEMBL3788452 0.74 MAPT (0.54) MAPTSMN1; SMN2MEN1LMNAKMT2A

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-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 US disclosed
EP-2674417-A2 Biaryl PDE4 inhibitors for treating inflammation Decode Genetics EHF (IS) 2013-12-18 EP disclosed
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 US disclosed
EP-2222638-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2010-09-01 EP disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 US disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 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 (3 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-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B HSPB1 3937/4885MAPT 1932/4885SMN1; SMN2 869/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B HSPB1 3937/4885MAPT 1932/4885SMN1; SMN2 869/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B HSPB1 3937/4885MAPT 1932/4885SMN1; SMN2 869/4885

“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.