SCHEMBL6899172

SCHEMBL6899172

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nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
PTGS2 P35354 1/20 0.52
THPO P40225 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
ALDH1A1 P00352 3/20 0.50
GNPAT O15228 2/20 0.43
FOLH1 Q04609 4/20 0.40
LMNA P02545 1/20 0.40
RIMKLA Q8IXN7 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PAM P19021 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL6899169 1.00 MAPT (0.52) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL9636364 0.86 MAPT (0.57) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL9636369 0.86 MAPT (0.57) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL5707640 0.85 MAPT (0.48) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL109681 0.82 LMNA (0.55) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL1332039 0.82 LMNA (0.55) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL109680 0.82 LMNA (0.55) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL109682 0.82 LMNA (0.55) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL18750468 0.81 GNPAT (0.48) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL2639626 0.81 LMNA (0.54) MAPTSMN1; SMN2KDM4ETHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6808716-B2 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2004-10-26 US claimed
US-20030198656-A1 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2003-10-23 US claimed
US-4072703-A HUMAN AND VETERINARY MEDICINE CHIMIE & BIOLOGIE (FR) 1978-02-07 US claimed
US-20100105685-A1 S-Nitrosothiol Compounds and Related Derivatives GALLEON PHARMACEUTICALS, INC. 2010-04-29 US disclosed
US-20100105685-A1 S-Nitrosothiol Compounds and Related Derivatives GALLEON PHARMACEUTICALS, INC. 2010-04-29 US disclosed
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed
WO-2008066603-A2 S-NITROSOTHIOL COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2008-06-05 WO disclosed
US-6808716-B2 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2004-10-26 US disclosed
WO-2004089329-A2 TOPICAL COMPOSITIONS COMPRISING N-ACETYLAMINO ACIDS OR RELATED N-ACETYL COMPOUNDS YU RUEY J (US) 2004-10-21 WO disclosed
US-20030229141-A1 N-acetyl cysteine and its topical use YU RUEY J (US) 2003-12-11 US disclosed
US-20030198656-A1 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2003-10-23 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-20100105685-A1 S-Nitrosothiol Compounds and Related Derivatives NNMT, BHMT2, SQOR MAPT 2644/4885SMN1; SMN2 324/4885KDM4E 1106/4885

“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.