SCHEMBL7494544

SCHEMBL7494544

O=C(NCc1cccs1)c1nc2c(Cl)cc(-c3ccccc3)cn2c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
THRB P10828 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPK1 P28482 1/20 0.46
HPGD P15428 7/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 3/20 0.44
CYP1A2 P05177 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 3/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
RECQL P46063 1/20 0.43
HTT P42858 3/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7494194 0.90 SMN1; SMN2 (0.52) SMN1; SMN2LMNARAB9ANPC1THRB
SCHEMBL7491326 0.87 LMNA (0.47) SMN1; SMN2LMNARAB9ANPC1THRB
SCHEMBL7503591 0.86 LMNA (0.48) SMN1; SMN2LMNARAB9ANPC1THRB
SCHEMBL7490255 0.86 SMN1; SMN2 (0.45) SMN1; SMN2LMNARAB9ANPC1THRB
SCHEMBL7499730 0.86 THRB (0.47) SMN1; SMN2LMNARAB9ANPC1THRB
SCHEMBL7493760 0.85 SMN1; SMN2 (0.50) SMN1; SMN2LMNARAB9ANPC1THRB
SCHEMBL7487587 0.79 SMN1; SMN2 (0.48) SMN1; SMN2LMNARAB9ANPC1THRB
SCHEMBL3699109 0.78 SMN1; SMN2 (0.47) SMN1; SMN2LMNARAB9ANPC1THRB
SCHEMBL7493702 0.78 CPT1A (0.41) SMN1; SMN2LMNARAB9ANPC1THRB
SCHEMBL3687958 0.78 MDM2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 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 (2 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 SMN1; SMN2 3448/4885LMNA 1511/4885RAB9A 3638/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 SMN1; SMN2 3448/4885LMNA 1511/4885RAB9A 3638/4885

“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.