SCHEMBL23736016

SCHEMBL23736016

c1csc(CNCc2cc(CNCc3cccs3)cc(-c3cc(CNCc4cccs4)cc(CNCc4cccs4)c3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.61
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
CYP1A2 P05177 3/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2D6 P10635 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP2C9 P11712 2/20 0.54
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
RECQL P46063 1/20 0.53
GFER P55789 1/20 0.53
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
HTT P42858 1/20 0.48
MAOB P27338 1/20 0.46

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
SCHEMBL22305112 0.94 LMNA (0.68) LMNAL3MBTL1KMT2AMEN1CYP1A2
SCHEMBL3159042 0.84 LMNA (0.68) LMNAL3MBTL1KMT2AMEN1CYP1A2
Hydrochloric Acid SCHEMBL6122085 0.82 KMT2A (0.69) LMNAL3MBTL1KMT2AMEN1CYP1A2
SCHEMBL3625005 0.81 LMNA (0.71) LMNAL3MBTL1KMT2AMEN1CYP1A2
SCHEMBL6122653 0.76 LMNA (1.00) LMNAL3MBTL1KMT2AMEN1CYP1A2
SCHEMBL8826749 0.76 LMNA (0.70) LMNAL3MBTL1KMT2AMEN1CYP1A2
Hydrochloric Acid SCHEMBL6122966 0.76 KMT2A (0.68) LMNAL3MBTL1KMT2AMEN1CYP1A2
Hydrochloric Acid SCHEMBL6122570 0.75 LMNA (0.97) LMNAL3MBTL1KMT2AMEN1CYP1A2
Hydrochloric Acid SCHEMBL6123003 0.75 KMT2A (0.71) LMNAL3MBTL1KMT2AMEN1CYP1A2
SCHEMBL8829504 0.73 L3MBTL1 (0.67) LMNAL3MBTL1KMT2AMEN1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12023323-B2 Carbohydrate-binding small molecules with antiviral activity RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2024-07-02 US disclosed
US-11091468-B2 Carbohydrate-binding small molecules with antiviral activity RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2021-08-17 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 (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-12023323-B2 Carbohydrate-binding small molecules with antiviral activity HAVCR2, GALE, ZC3HAV1 LMNA 2989/4885L3MBTL1 1141/4885KMT2A 3593/4885
US-11091468-B2 Carbohydrate-binding small molecules with antiviral activity GALE, FUT6, FUT5 LMNA 2975/4885L3MBTL1 1687/4885KMT2A 3465/4885

“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.