SCHEMBL3699771

SCHEMBL3699771

Cn1cc(-c2cc(-c3ccccc3)cn3c(Cl)c(C(=O)NCc4cccs4)nc23)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 7/20 0.42
ALDH1A1 P00352 5/20 0.42
POLB P06746 2/20 0.42
RECQL P46063 2/20 0.42
THRB P10828 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HTT P42858 4/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 2/20 0.39

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
SCHEMBL7489161 0.87 SMN1; SMN2 (0.46) SMN1; SMN2LMNARAB9ANPC1HPGD
SCHEMBL7492195 0.85 RAB9A (0.46) SMN1; SMN2LMNARAB9ANPC1HPGD
SCHEMBL7491457 0.85 SMN1; SMN2 (0.44) SMN1; SMN2LMNARAB9ANPC1HPGD
SCHEMBL7492693 0.84 PKM (0.43) SMN1; SMN2LMNARAB9ANPC1HPGD
SCHEMBL7494194 0.84 SMN1; SMN2 (0.52) SMN1; SMN2LMNARAB9ANPC1HPGD
SCHEMBL7493760 0.82 SMN1; SMN2 (0.50) SMN1; SMN2LMNARAB9ANPC1HPGD
SCHEMBL3699109 0.81 SMN1; SMN2 (0.47) SMN1; SMN2LMNARAB9ANPC1HPGD
SCHEMBL3687376 0.81 GRM2 (0.44)
SCHEMBL7487587 0.80 SMN1; SMN2 (0.48) SMN1; SMN2LMNARAB9ANPC1HPGD
SCHEMBL7499668 0.79 RAB9A (0.46) SMN1; SMN2LMNARAB9ANPC1HPGD

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-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-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
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.