SCHEMBL7490255

SCHEMBL7490255

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
LMNA P02545 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
THRB P10828 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPK1 P28482 1/20 0.44
HPGD P15428 5/20 0.43
ALDH1A1 P00352 2/20 0.43
CPT1A P50416 1/20 0.43
PKM P14618 2/20 0.42
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7493702 0.91 CPT1A (0.41) SMN1; SMN2LMNANPC1RAB9ATHRB
SCHEMBL3692663 0.90 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPC1RAB9ATHRB
SCHEMBL7487587 0.89 SMN1; SMN2 (0.48) SMN1; SMN2LMNANPC1RAB9ATHRB
SCHEMBL3702704 0.88 ROCK2 (0.40) SMN1; SMN2LMNATHRBRXFP1MAPK1
SCHEMBL7494544 0.86 SMN1; SMN2 (0.48) SMN1; SMN2LMNANPC1RAB9ATHRB
SCHEMBL7491326 0.84 LMNA (0.47) SMN1; SMN2LMNANPC1RAB9ATHRB
SCHEMBL7499730 0.84 THRB (0.47) SMN1; SMN2LMNANPC1RAB9ATHRB
SCHEMBL7503591 0.84 LMNA (0.48) SMN1; SMN2LMNANPC1RAB9ATHRB
SCHEMBL7491373 0.83 PKM (0.46) SMN1; SMN2LMNANPC1RAB9AHPGD
SCHEMBL3709720 0.83 LMNA (0.48) SMN1; SMN2LMNANPC1RAB9ATHRB

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-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
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 SMN1; SMN2 3448/4885LMNA 1511/4885NPC1 229/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 SMN1; SMN2 3448/4885LMNA 1511/4885NPC1 229/4885

“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.