SCHEMBL3709720

SCHEMBL3709720

O=C(NCc1cccs1)c1nc2c(C(F)(F)F)cc(-c3ccccc3)nn2c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CPT1A P50416 1/20 0.44
RXFP1 Q9HBX9 3/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 4/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 2/20 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
SCHEMBL3698808 0.89 LMNA (0.48) LMNAMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL7490255 0.83 SMN1; SMN2 (0.45) LMNAMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL7492067 0.81 RAB9A (0.52) LMNAMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL3689300 0.79 APOBEC3A (0.46) MAPK1SMN1; SMN2RXFP1HPGDMAPT
SCHEMBL1719456 0.79 RXFP1 (0.69) LMNAMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL3688707 0.78 ALDH1A1 (0.50) SMN1; SMN2RXFP1HPGDMAPTALDH1A1
SCHEMBL3702704 0.77 ROCK2 (0.40) LMNAMAPK1SMN1; SMN2CPT1ARXFP1
SCHEMBL7493702 0.77 CPT1A (0.41) LMNAMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL3692663 0.76 SMN1; SMN2 (0.46) LMNAMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL7487587 0.76 SMN1; SMN2 (0.48) LMNAMAPK1SMN1; SMN2NPC1RAB9A

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 LMNA 1511/4885MAPK1 4071/4885SMN1; SMN2 3448/4885

“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.