SCHEMBL23623388

SCHEMBL23623388

COc1ccc(CSc2nc(=O)c(C)cn2I)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.49
▸ DAO P14920 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ DHODH Q02127 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL20759378 0.86 DAO (0.51) TSHRDAOLMNAMMP13ALDH1A1
SCHEMBL23482876 0.82 TSHR (0.47) TSHRDAOLMNAMMP13ALDH1A1
SCHEMBL20759253 0.69 DAO (0.53) TSHRDAOLMNAMMP13ALDH1A1
SCHEMBL8446039 0.67 ALDH1A1 (0.70) TSHRLMNAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5794763 0.67 PTGDR2 (0.53) TSHRDAOLMNAALDH1A1SMN1; SMN2
SCHEMBL4291315 0.67 TSHR (0.57) TSHRDAOLMNAMMP13ALDH1A1
SCHEMBL3612929 0.67 PLA2G7 (0.58) CYP3A4
SCHEMBL18776168 0.67 DAO (0.50) TSHRDAOLMNAMMP13ALDH1A1
SCHEMBL18776164 0.67 PTGDR2 (0.51) TSHRDAOLMNAMMP13ALDH1A1
SCHEMBL10595385 0.67 DAO (0.50) TSHRDAOLMNAMMP13ALDH1A1

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-20210206809-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY VERA THERAPEUTICS INC (US) 2021-07-08 — — 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-20210206809-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY AGO2, TARBP1, TPR TSHR 105/4885DAO 1130/4885LMNA 1794/4885

“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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