SCHEMBL4261971

SCHEMBL4261971

O=c1[nH]c2cc(-c3cccc(Cl)c3)ccc2o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.68
NOS1 P29475 3/20 0.68
NOS2 P35228 3/20 0.68
LMNA P02545 1/20 0.68
CYP1A2 P05177 1/20 0.68
ADRA2A P08913 1/20 0.68
TSHR P16473 1/20 0.68
THPO P40225 1/20 0.68
BLM P54132 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
PDE3B Q13370 2/20 0.59
PDE3A Q14432 2/20 0.59
NOTUM Q6P988 1/20 0.51
PGR P06401 6/20 0.50
KMO O15229 1/20 0.49
OGT O15294 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL17260645 0.83 PDE3B (0.71) NOS3NOS1NOS2LMNACYP1A2
Chlorzoxazone SCHEMBL35178 0.81 NOS1 (1.00) NOS3NOS1NOS2LMNACYP1A2
Chlorzoxazone SCHEMBL29720120 0.81 NOS1 (1.00) NOS3NOS1NOS2LMNACYP1A2
SCHEMBL4256962 0.81 NOS1 (0.68) NOS3NOS1NOS2LMNACYP1A2
SCHEMBL14920284 0.77 NOS3 (0.65) NOS3NOS1NOS2LMNACYP1A2
SCHEMBL11251932 0.76 PDE3B (0.68) NOS3NOS1NOS2LMNACYP1A2
SCHEMBL17260653 0.76 PDE3B (0.69) NOS3NOS1NOS2LMNACYP1A2
SCHEMBL15110260 0.75 PDE3B (0.63) NOS3NOS1NOS2LMNACYP1A2
SCHEMBL11260674 0.74 PDE3B (1.00) NOS3NOS1NOS2LMNACYP1A2
Hydrochloric Acid SCHEMBL31253517 0.74 PDE3B (0.61) NOS3NOS1NOS2LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US claimed
JP-2008508314-A 2008-03-21 JP claimed
EP-1778242-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2007-05-02 EP claimed
WO-2006015259-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2006-02-09 WO claimed
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US disclosed
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US 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-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS NR5A1, ESRRA, NR3C1 NOS3 1379/4885NOS1 1818/4885NOS2 1763/4885

“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.