SCHEMBL7489677

SCHEMBL7489677

O=C(NCc1cccs1)c1cn2cc(-c3ccc(N4CCOCC4)cc3)cc(C(F)(F)F)c2n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
FYN P06241 1/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.39
NAPEPLD Q6IQ20 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
HPGD P15428 1/20 0.39
PTK2 Q05397 1/20 0.38

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
SCHEMBL7494286 0.93 HDAC1 (0.40) CFTRHDAC1HDAC6RAB9ANPC1
SCHEMBL7494559 0.87 RAB9A (0.53) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL7493424 0.82 EGLN1 (0.46) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL7489902 0.81 RAB9A (0.46) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL7486958 0.80 HTT (0.47) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL3696132 0.80 CFTR (0.46) CFTR
SCHEMBL7490247 0.80 RAB9A (0.45) RAB9ANPC1SMN1; SMN2POLBKDM4E
SCHEMBL7486897 0.80 RAB9A (0.45) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL3690077 0.73 KMO (0.45) CFTR
SCHEMBL7492067 0.72 RAB9A (0.52) 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 CFTR 2042/4885HDAC1 936/4885HDAC6 746/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 CFTR 2042/4885HDAC1 936/4885HDAC6 746/4885

“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.