SCHEMBL22305118

SCHEMBL22305118

c1cc(COc2cc(OCc3ccncc3)cc(OCc3ccncc3)c2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
TLR4 O00206 1/20 0.46
TLR2 O60603 1/20 0.46
F2 P00734 2/20 0.46
MAOA P21397 1/20 0.45
IKBKB O14920 1/20 0.45
ABCB1 P08183 1/20 0.44
KCNH2 Q12809 1/20 0.44
GRIN2B Q13224 1/20 0.44
AR P10275 1/20 0.43
MAOB P27338 1/20 0.42

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
SCHEMBL30595018 0.84 MEN1 (0.73) SMN1; SMN2MEN1KMT2A
SCHEMBL4858769 0.82 PLK1 (0.48) NOS3NOS1NOS2SMN1; SMN2MEN1
SCHEMBL4569962 0.82 F2 (0.60) SMN1; SMN2HTTF2MAOAIKBKB
SCHEMBL791922 0.81 MAOB (0.72) NOS3NOS1NOS2SMN1; SMN2MEN1
SCHEMBL17085545 0.80 MEN1 (0.68) SMN1; SMN2MEN1KMT2A
SCHEMBL17088266 0.79 NOS3 (0.49) NOS3NOS1NOS2SMN1; SMN2MEN1
SCHEMBL7078819 0.79 F2 (0.49) SMN1; SMN2HTTF2MAOAKCNH2
SCHEMBL1825953 0.79 APP (0.73) F2KCNH2GRIN2B
SCHEMBL694419 0.79 F2 (0.45) NOS3NOS1NOS2SMN1; SMN2MEN1
SCHEMBL3182484 0.79 MAOB (0.66) NOS3NOS1NOS2SMN1; SMN2MEN1

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-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase CENTRE HOSPITALIER DE L'UNIVERSITE DE MONTREAL (CA) 2023-09-28 US disclosed
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase CENTRE HOSPITALIER DE L'UNIVERSITE DE MONTREAL (CA) 2023-09-28 US disclosed
US-20200246365-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE CENTRE HOSPITALIER DE L'UNIVERSITÉ DE MONTRÉAL (CA) 2020-08-06 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 (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-20200246365-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE RAN, RANBP1, GDI2 NOS3 3655/4885NOS1 4073/4885NOS2 4152/4885
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase RAN, RANBP1, GDI2 NOS3 3655/4885NOS1 4073/4885NOS2 4152/4885

“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.