SCHEMBL21972265

SCHEMBL21972265

COc1cc(N(C)C)cc(SC)c1C1N(C)c2ccccc2N1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.46
▸ PDGFRB P09619 1/20 0.44
▸ ALDH1A1 P00352 8/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 5/20 0.33
▸ HTT P42858 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ HPGD P15428 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ CYBB P04839 1/20 0.32
▸ NOX4 Q9NPH5 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL20739825 0.88 LMNA (0.54) LMNAPDGFRBALDH1A1KMT2AMEN1
SCHEMBL21972257 0.83 LMNA (0.49) LMNAPDGFRBALDH1A1KMT2AMEN1
SCHEMBL21972266 0.83 LMNA (0.49) LMNAPDGFRBALDH1A1KMT2AMEN1
SCHEMBL21972261 0.80 LMNA (0.40) LMNAPDGFRBALDH1A1KMT2AMEN1
SCHEMBL21972251 0.75 LMNA (0.49) LMNAPDGFRBALDH1A1KMT2AMEN1
SCHEMBL21971404 0.74 LMNA (0.58) LMNAPDGFRBALDH1A1KMT2AMEN1
SCHEMBL21971009 0.74 LMNA (0.63) LMNAPDGFRBALDH1A1KMT2AMEN1
SCHEMBL20739824 0.74 LMNA (0.36) LMNAPDGFRBALDH1A1GAAKDM4E
SCHEMBL20739823 0.73 LMNA (0.50) LMNAPDGFRBALDH1A1KMT2AMEN1
SCHEMBL20739438 0.71 PDGFRB (0.57) LMNAPDGFRBALDH1A1KMT2AMEN1

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-11046655-B2 Compound and method for producing same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-06-29 — — US disclosed
US-20200140394-A1 NOVEL COMPOUND AND METHOD FOR PRODUCING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-07 — — 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-20200140394-A1 NOVEL COMPOUND AND METHOD FOR PRODUCING SAME CBR3, NR2E3, NR5A2 LMNA 4733/4885PDGFRB 2517/4885ALDH1A1 1147/4885
US-11046655-B2 Compound and method for producing same CBR3, NR5A1, NR2E3 LMNA 4570/4885PDGFRB 2499/4885ALDH1A1 1076/4885

“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.

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