SCHEMBL7486958

SCHEMBL7486958

O=C(NCc1cccs1)c1cn2cc(-c3ccco3)cc(C(F)(F)F)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
RAB9A P51151 8/20 0.45
NPC1 O15118 7/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 4/20 0.44
TP53 P04637 3/20 0.44
HPGD P15428 3/20 0.44
ALOX15 P16050 2/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL7494559 0.87 RAB9A (0.53) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL7489902 0.84 RAB9A (0.46) NPSR1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL7493424 0.84 EGLN1 (0.46) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL7486897 0.83 RAB9A (0.45) HTTNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL3698748 0.82 ALDH1A1 (0.40) HTTNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL7494531 0.82 NPSR1 (0.46) HTTNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL7490137 0.82 HTT (0.47) HTTNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL7490247 0.82 RAB9A (0.45) HTTNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL3698746 0.82 ALDH1A1 (0.40) HTTNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL7489677 0.80 CFTR (0.42) RAB9ANPC1SMN1; SMN2LMNAALDH1A1

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 4 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
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 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 (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 HTT 3246/4885NPSR1 2288/4885RAB9A 3638/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 HTT 3246/4885NPSR1 2288/4885RAB9A 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.