SCHEMBL3699956

SCHEMBL3699956

O=C(Nc1ccc(F)cc1)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
IDO1 P14902 5/20 0.37
CD38 P28907 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NPY5R Q15761 1/20 0.35
ERN1 O75460 1/20 0.35
HIPK4 Q8NE63 1/20 0.34

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
SCHEMBL3699438 0.90 LMNA (0.40) SMN1; SMN2CD38NPC1RAB9ACNR1
SCHEMBL3704942 0.86 ALDH1A1 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL7492052 0.85 CNR1 (0.38) SMN1; SMN2KDM4ENPC1RAB9ACNR1
SCHEMBL1583247 0.83 ERN1 (0.40) ERN1
SCHEMBL1583278 0.82 ERN1 (0.40) ERN1
SCHEMBL3693692 0.82 ERN1 (0.40) ERN1
SCHEMBL3699955 0.82 ERN1 (0.34) SMN1; SMN2KDM4EALDH1A1ERN1
SCHEMBL3793277 0.82 NOTUM (0.41) SMN1; SMN2KDM4ERAB9AALDH1A1LMNA
SCHEMBL3709596 0.81 ERN1 (0.35) CNR1ERN1
Potassium Ion SCHEMBL1583281 0.81 ERN1 (0.39) ERN1

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
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP 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 3448/4885IDO1 1073/4885CD38 2380/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 SMN1; SMN2 3448/4885IDO1 1073/4885CD38 2380/4885

“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.