SCHEMBL20759378

SCHEMBL20759378

COc1ccc(CSc2nc(=O)c(C)cn2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.51
▸ TSHR P16473 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MMP13 P45452 1/20 0.50
▸ DHODH Q02127 1/20 0.47
▸ PLA2G7 Q13093 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CTSB P07858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ FABP3 P05413 1/20 0.44
▸ FABP4 P15090 1/20 0.44

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
SCHEMBL23623388 0.86 TSHR (0.49) DAOTSHRLMNAMMP13DHODH
SCHEMBL23482876 0.84 TSHR (0.47) DAOTSHRLMNAMMP13DHODH
SCHEMBL20759253 0.78 DAO (0.53) DAOTSHRLMNAMMP13DHODH
SCHEMBL18776164 0.78 PTGDR2 (0.51) DAOTSHRLMNAMMP13ALDH1A1
SCHEMBL18776168 0.78 DAO (0.50) DAOTSHRLMNAMMP13DHODH
SCHEMBL18785383 0.77 GABRA2 (0.49) DAOTSHRLMNAMMP13ALDH1A1
SCHEMBL31180629 0.72 DHODH (0.46) DAOTSHRLMNAMMP13DHODH
SCHEMBL31180701 0.72 MAOB (0.49) DAOTSHRLMNAMMP13DHODH
SCHEMBL9889602 0.72 PLA2G7 (0.45) LMNAMMP13DHODHPLA2G7ALDH1A1
SCHEMBL8446039 0.71 ALDH1A1 (0.70) TSHRLMNAALDH1A1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 DAO 268/4885TSHR 158/4885LMNA 1235/4885

“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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