SCHEMBL6078926

SCHEMBL6078926

CC(C)CNCc1csc(NC(=O)Nc2cccc3nsnc23)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.50
▸ MEN1 O00255 6/20 0.50
▸ KMT2A Q03164 6/20 0.50
▸ MAPT P10636 4/20 0.50
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KDM4E B2RXH2 8/20 0.48
▸ NPSR1 Q6W5P4 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ PPARG P37231 1/20 0.48
▸ NCOA2 Q15596 1/20 0.48
▸ NCOA1 Q15788 1/20 0.48
▸ NCOA3 Q9Y6Q9 1/20 0.48
▸ HSD17B10 Q99714 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HPGD P15428 6/20 0.43
▸ PDE5A O76074 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
SCHEMBL6079022 0.85 PDE5A (0.42) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL5252659 0.83 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL14559557 0.69 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL5252743 0.69 PDE5A (0.42) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL15881215 0.67 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL6078683 0.66 MAPT (0.42) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6078798 0.65 MEN1 (0.44) MEN1KMT2AMAPTL3MBTL1NPC1
SCHEMBL6079509 0.65 BLM (0.53) —
SCHEMBL6078968 0.65 MAPT (0.43) MEN1KMT2AMAPTL3MBTL1NPC1
SCHEMBL2410489 0.65 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTL3MBTL1

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 ALDH1A1 1786/4885MEN1 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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