SCHEMBL6504532

SCHEMBL6504532

O=C(NCCC1SC(NC23CC4CC(CC2C4)C3)=NC1=O)c1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.35
ADORA2A P29274 1/20 0.35
EPHX2 P34913 3/20 0.34
P2RX7 Q99572 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
SLC6A9 P48067 1/20 0.32
ALOX5 P09917 1/20 0.31

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
SCHEMBL6503448 0.94 SMN1; SMN2 (0.42) SMN1; SMN2P2RX7POLB
SCHEMBL6499906 0.82 P2RX7 (0.52) SMN1; SMN2NPC1RAB9AP2RX7ALDH1A1
SCHEMBL6426530 0.80 P2RX7 (0.35) EPHX2P2RX7
SCHEMBL6388648 0.79 P2RX7 (0.50) SMN1; SMN2LMNANPC1RAB9AP2RX7
SCHEMBL6388703 0.77 CCNA2 (0.41) SMN1; SMN2LMNANPC1RAB9AATM
SCHEMBL6390900 0.77 CCNA2 (0.41) SMN1; SMN2LMNANPC1RAB9AATM
SCHEMBL6392368 0.77 CCNA2 (0.41) SMN1; SMN2LMNANPC1RAB9AATM
SCHEMBL6506173 0.75 SMN1; SMN2 (0.37) SMN1; SMN2LMNANPC1RAB9AATM
SCHEMBL6506039 0.73 MAPT (0.36) EPHX2ALDH1A1
SCHEMBL6392653 0.72 SMN1; SMN2 (0.43) SMN1; SMN2LMNAP2RX7POLBKMT2A

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 1964/4885NPC1 277/4885

“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.