SCHEMBL21972261

SCHEMBL21972261

COc1cc(SC)c(C2N(C)c3ccccc3N2C)c(N(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.40
▸ PDGFRB P09619 1/20 0.38
▸ KMT2A Q03164 5/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ SLC16A3 O15427 1/20 0.31
▸ SLC16A1 P53985 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CRHR1 P34998 1/20 0.30
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL21972258 0.88 LMNA (0.46) LMNAPDGFRBKMT2AMEN1KDM4E
SCHEMBL21972255 0.83 LMNA (0.42) LMNAPDGFRBKMT2AMEN1GAA
SCHEMBL21972251 0.83 LMNA (0.49) LMNAPDGFRBKMT2AMEN1ALDH1A1
SCHEMBL21972265 0.80 LMNA (0.46) LMNAPDGFRBKMT2AMEN1ALDH1A1
SCHEMBL21972266 0.75 LMNA (0.49) LMNAPDGFRBKMT2AMEN1ALDH1A1
SCHEMBL21971005 0.74 LMNA (0.51) LMNAPDGFRBKMT2AMEN1ALDH1A1
SCHEMBL21971001 0.71 LMNA (0.51) LMNAPDGFRBKMT2AMEN1ALDH1A1
SCHEMBL21971404 0.71 LMNA (0.58) LMNAPDGFRBKMT2AMEN1ALDH1A1
SCHEMBL20739438 0.71 PDGFRB (0.57) LMNAPDGFRBKMT2AMEN1ALDH1A1
SCHEMBL21971004 0.69 PDGFRB (0.53) LMNAPDGFRBKMT2AMEN1ALDH1A1

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 2517/4885KMT2A 3948/4885
US-11046655-B2 Compound and method for producing same CBR3, NR5A1, NR2E3 LMNA 4570/4885PDGFRB 2499/4885KMT2A 4008/4885

“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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