SCHEMBL6079022

SCHEMBL6079022

CC(C)CNCc1csc(NC(=O)Nc2cccc3nonc23)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SHMT2 P34897 2/20 0.40
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPK1 P28482 1/20 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
SCHEMBL6078926 0.85 ALDH1A1 (0.50) PDE5AMEN1KMT2ATDP1SHMT2
SCHEMBL5252743 0.84 PDE5A (0.42) PDE5AMEN1KMT2ASHMT2LMNA
SCHEMBL5252659 0.71 ALDH1A1 (0.49) PDE5AMEN1KMT2ASHMT2ALDH1A1
SCHEMBL6078683 0.67 MAPT (0.42) MEN1KMT2ATDP1LMNANPC1
SCHEMBL6080110 0.66 MAPT (0.42) MEN1KMT2ATDP1LMNATP53
SCHEMBL6078798 0.65 MEN1 (0.44) MEN1KMT2ATDP1LMNATP53
SCHEMBL6079509 0.64 BLM (0.53) —
SCHEMBL6078968 0.64 MAPT (0.43) MEN1KMT2ATDP1LMNATP53
SCHEMBL5354933 0.62 L3MBTL1 (0.47) PDE5ALMNATP53NPC1MAPT
SCHEMBL353320 0.62 ROCK1 (0.61) —

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-20060100232-A1 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof ACHILLION PHARMACEUTICAL, INC. 2006-05-11 — — 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-20060100232-A1 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof ZC3HAV1, CD4, ACIN1 PDE5A 2320/4885MEN1 4767/4885KMT2A 2662/4885

“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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