SCHEMBL7494286

SCHEMBL7494286

O=C(NCc1cccs1)c1cn2cc(-c3cccc(N4CCOCC4)c3)cc(C(F)(F)F)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
FGFR1 P11362 1/20 0.40
RAB9A P51151 7/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 3/20 0.39
CFTR P13569 1/20 0.39
KDM1A O60341 1/20 0.38
USP2 O75604 1/20 0.38
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL7489677 0.93 CFTR (0.42) HDAC1HDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL7493424 0.85 EGLN1 (0.46) RAB9ANPC1SMN1; SMN2LMNAPOLB
SCHEMBL7494559 0.85 RAB9A (0.53) RAB9ANPC1SMN1; SMN2LMNAPOLB
SCHEMBL3690077 0.82 KMO (0.45) CFTR
SCHEMBL7489902 0.79 RAB9A (0.46) RAB9ANPC1SMN1; SMN2LMNAPOLB
SCHEMBL7486958 0.79 HTT (0.47) RAB9ANPC1SMN1; SMN2LMNAPOLB
SCHEMBL7490247 0.78 RAB9A (0.45) RAB9ANPC1SMN1; SMN2LMNAPOLB
SCHEMBL7486897 0.78 RAB9A (0.45) RAB9ANPC1SMN1; SMN2LMNAPOLB
SCHEMBL3696132 0.73 CFTR (0.46) CFTR
SCHEMBL7499801 0.73 SLC2A1 (0.42) RAB9ANPC1SMN1; SMN2POLBMAPT

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 HDAC1 936/4885HDAC6 746/4885FGFR1 1991/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 HDAC1 936/4885HDAC6 746/4885FGFR1 1991/4885

“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.