SCHEMBL6759591

SCHEMBL6759591

CC(C)CSc1ccccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33

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
SCHEMBL6762166 0.82 LMNA (0.40) LMNAKMT2AMEN1THRBBLM
SCHEMBL2801460 0.79 LMNA (0.48) LMNAKMT2AMEN1THRBBLM
SCHEMBL28787218 0.76 KMT2A (0.41) LMNAKMT2AMEN1THRBBLM
SCHEMBL7760109 0.76 PTGS2 (0.47) LMNAKMT2AMEN1THRBBLM
SCHEMBL2800846 0.75 LMNA (0.48) LMNAKMT2AMEN1THRBBLM
SCHEMBL9711982 0.75 LMNA (0.48) LMNAKMT2AMEN1THRBBLM
Isopropylamine SCHEMBL28787289 0.73 LMNA (0.46) LMNAKMT2AMEN1THRBBLM
SCHEMBL9791105 0.73 ALOX5 (0.49) ALDH1A1
SCHEMBL8595709 0.73 PTGS2 (0.51) LMNAKMT2AMEN1THRBBLM
SCHEMBL4439793 0.73 LMNA (0.47) LMNAKMT2AMEN1THRBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040192680-A1 Novel amides that activate soluble guanylate cyclase ABBOTT LABORATORIES 2004-09-30 US disclosed
WO-2004060859-A2 NOVEL AMIDES THAT ACTIVATE SOLUBLE GUANYLATE CYCLASE ABBOTT LABORATORIES (US) 2004-07-22 WO disclosed
US-20040121994-A1 Novel amides that activate soluble guanylate cyclase ABBOTT LABORATORIES 2004-06-24 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 (2 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-20040121994-A1 Novel amides that activate soluble guanylate cyclase GUCY1A1, GUCY1B1, GUCY1A2 LMNA 2027/4885KMT2A 3702/4885MEN1 1311/4885
US-20040192680-A1 Novel amides that activate soluble guanylate cyclase GUCY1A1, GUCY1B1, GUCY1A2 LMNA 2027/4885KMT2A 3702/4885MEN1 1311/4885

“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.