SCHEMBL22305387

SCHEMBL22305387

c1cc(CNCc2cc(CNCc3ccncc3)cc(CNCc3ccncc3)c2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A4 P14672 1/20 0.60
GAA P10253 1/20 0.59
NOS3 P29474 1/20 0.50
NOS2 P35228 1/20 0.50
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.44

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
Gapicomine SCHEMBL1037773 0.92 SLC2A4 (0.61) SLC2A4GAANOS3NOS2CYP2D6
Gapicomine SCHEMBL9336954 0.90 SLC2A4 (0.59) SLC2A4GAACYP2D6CYP1A2SMN1; SMN2
Gapicomine SCHEMBL6121683 0.90 SLC2A4 (0.59) SLC2A4GAACYP2D6CYP1A2SMN1; SMN2
SCHEMBL10054983 0.90 SLC2A4 (0.59) SLC2A4GAACYP2D6CYP1A2SMN1; SMN2
SCHEMBL1042566 0.83 SLC2A4 (0.63) SLC2A4GAACYP2D6CYP1A2SMN1; SMN2
SCHEMBL29444840 0.82 MEN1 (0.56) SLC2A4GAACYP2D6SMN1; SMN2TDP1
SCHEMBL3238227 0.79 SLC2A4 (0.50) SLC2A4GAACYP2D6CYP1A2SMN1; SMN2
SCHEMBL2236862 0.79 LOXL2 (0.70) SLC2A4GAANOS3NOS2SMN1; SMN2
SCHEMBL1042452 0.79 SLC2A4 (0.50) SLC2A4GAANOS3NOS2CYP2D6
SCHEMBL20847619 0.79 SMN1; SMN2 (0.56) SLC2A4GAASMN1; SMN2ALDH1A1KDM4E

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 SLC2A4 2275/4885GAA 336/4885NOS3 3655/4885
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase RAN, RANBP1, GDI2 SLC2A4 2275/4885GAA 336/4885NOS3 3655/4885

“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.