SCHEMBL21971007

SCHEMBL21971007

COc1c(C2N(C)c3ccccc3N2C)cccc1N(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.49
▸ PDGFRB P09619 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ GPR3 P46089 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ APP P05067 2/20 0.32
▸ MAPT P10636 2/20 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
SCHEMBL20508364 0.82 PDGFRB (0.53) LMNAPDGFRBALDH1A1KDM4EGAA
SCHEMBL21971402 0.80 PDGFRB (0.47) LMNAPDGFRBALDH1A1KDM4EGAA
SCHEMBL21971005 0.78 LMNA (0.51) LMNAPDGFRBALDH1A1KDM4EHTT
SCHEMBL21971399 0.77 LMNA (0.47) LMNAPDGFRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL21970999 0.76 LMNA (0.56) LMNAPDGFRBALDH1A1KDM4ENPSR1
SCHEMBL21971000 0.76 LMNA (0.49) LMNAPDGFRBALDH1A1KDM4EHIF1A
SCHEMBL21971004 0.75 PDGFRB (0.53) LMNAPDGFRBALDH1A1KDM4EGAA
SCHEMBL21972252 0.75 PDGFRB (0.42) LMNAPDGFRBALDH1A1KDM4EGAA
SCHEMBL21971001 0.75 LMNA (0.51) LMNAPDGFRBALDH1A1KDM4EHTT
SCHEMBL21970632 0.72 PDGFRB (0.42) LMNAPDGFRBALDH1A1KDM4EGAA

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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