SCHEMBL6506173

SCHEMBL6506173

O=C(NCCC1SC(NC2CC3C=CC2C3)=NC1=O)c1c(F)cccc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ATM Q13315 1/20 0.35
POLB P06746 1/20 0.34
ALOX5 P09917 1/20 0.34
EPHX2 P34913 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
IL1B P01584 1/20 0.31
GAA P10253 2/20 0.31
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL6388738 0.94 POLB (0.43) SMN1; SMN2POLBIL1BGAARXFP1
SCHEMBL6504082 0.86 MEN1 (0.39) POLBALDH1A1KMT2AMEN1
SCHEMBL6429092 0.85 PARP1 (0.33) EPHX2
SCHEMBL6503577 0.84 ALDH1A1 (0.34) SMN1; SMN2LMNARAB9ANPC1ALDH1A1
SCHEMBL6392731 0.83 EPHX2 (0.33) EPHX2ALDH1A1IL1B
SCHEMBL14440562 0.83 NAMPT (0.39) SMN1; SMN2RAB9ANPC1POLBKMT2A
SCHEMBL6498589 0.83 KEAP1 (0.35) EPHX2GAA
SCHEMBL6506781 0.83 P2RX7 (0.39) SMN1; SMN2RAB9ANPC1POLBALDH1A1
SCHEMBL6427119 0.82 PPARD (0.38) LMNAEPHX2GAA
SCHEMBL6429803 0.81 RAB9A (0.38) SMN1; SMN2LMNARAB9ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 SMN1; SMN2 3733/4885LMNA 1964/4885RAB9A 2649/4885

“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.