SCHEMBL20665032

SCHEMBL20665032

O=C(CNCCNC(=O)OCC1c2ccccc2-c2ccccc21)OCC(Cl)(Cl)Cl

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ EPHX2 P34913 1/20 0.43
▸ TLR2 O60603 1/20 0.39
▸ TLR1 Q15399 1/20 0.39
▸ OPRD1 P41143 1/20 0.38
▸ FABP7 O15540 2/20 0.38
▸ FABP5 Q01469 2/20 0.38
▸ CASP3 P42574 2/20 0.37

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
SCHEMBL20665012 0.90 KMT2A (0.54) KMT2AEPHX2TLR2TLR1OPRD1
SCHEMBL20665020 0.85 KMT2A (0.56) KMT2AEPHX2OPRD1CASP3
SCHEMBL1007491 0.85 KMT2A (0.58) KMT2AEPHX2OPRD1FABP7FABP5
Hydrochloric Acid SCHEMBL7876414 0.84 KMT2A (0.57) KMT2AEPHX2OPRD1FABP7FABP5
SCHEMBL469368 0.83 KMT2A (0.54) KMT2AEPHX2CASP3
SCHEMBL30095461 0.83 KMT2A (0.54) KMT2AEPHX2CASP3
SCHEMBL20665019 0.83 KMT2A (0.54) KMT2AEPHX2TLR2TLR1CASP3
SCHEMBL20759216 0.83 KMT2A (0.54) KMT2AEPHX2TLR2TLR1OPRD1
SCHEMBL20759374 0.83 KMT2A (0.54) KMT2AEPHX2TLR2TLR1OPRD1
SCHEMBL12893658 0.82 KMT2A (0.53) KMT2AEPHX2TLR2TLR1OPRD1

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-20210171437-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY AND NOVEL INTERMEDIATES AND METHODS RELATED THERETO VERA THERAPEUTICS INC (US) 2021-06-10 — — US disclosed
US-20190055190-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY AND NOVEL INTERMEDIATES AND METHODS RELATED THERETO NEUBASE THERAPEUTICS, INC. 2019-02-21 — — US disclosed
WO-2019018422-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY AND NOVEL INTERMEDIATES AND METHODS RELATED THERETO TRUCODE GENE REPAIR, INC. (US) 2019-01-24 — — WO 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-20190055190-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY AND NOVEL INTERMEDIATES AND METHODS RELATED THERETO TARBP1, TIA1, SSB KMT2A 2365/4885EPHX2 593/4885TLR2 1263/4885
US-20210171437-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY AND NOVEL INTERMEDIATES AND METHODS RELATED THERETO TARBP1, TIA1, SSB KMT2A 2365/4885EPHX2 593/4885TLR2 1263/4885

“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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