SCHEMBL6503577

SCHEMBL6503577

O=C(OCCC1SC(NC2CC3C=CC2C3)=NC1=O)c1c(F)cccc1F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.30
S1PR4 O95977 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
XBP1 P17861 1/20 0.30
S1PR1 P21453 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6429803 0.94 RAB9A (0.38) ALDH1A1RAB9AKDM4ENPC1LMNA
SCHEMBL6500555 0.88 L3MBTL1 (0.35) ALDH1A1KMT2AKDM4EL3MBTL1MAPT
SCHEMBL6499655 0.86 ALDH1A1 (0.30) ALDH1A1RAB9A
SCHEMBL6510626 0.86 TDP1 (0.34) ALDH1A1RAB9AKMT2ALMNAHPGD
SCHEMBL6508683 0.86 SSTR3 (0.31)
SCHEMBL6506173 0.84 SMN1; SMN2 (0.37) ALDH1A1RAB9AKMT2ANPC1LMNA
SCHEMBL6505095 0.84 KDM4E (0.32) ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL6499218 0.84 LMNA (0.35) ALDH1A1RAB9AKMT2AKDM4EL3MBTL1
SCHEMBL6501528 0.83 L3MBTL1 (0.36) RAB9AKDM4EL3MBTL1NPC1LMNA
SCHEMBL6499622 0.83 HPGD (0.35) ALDH1A1RAB9AKMT2AL3MBTL1NPC1

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 ALDH1A1 67/4885RAB9A 2649/4885KMT2A 3213/4885

“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.