SCHEMBL6509241

SCHEMBL6509241

O=C(NCCC1SC(NC2CCCCCC2)=NC1=O)Nc1c(F)cccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 4/20 0.36
EPHX1 P07099 6/20 0.35
PYGL P06737 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
MEN1 O00255 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TSHR P16473 2/20 0.33
PDE4D Q08499 1/20 0.33
PRMT3 O60678 1/20 0.33
TP53 P04637 1/20 0.33
EPHX2 P34913 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6502232 0.89 KMT2A (0.50) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL6392368 0.86 CCNA2 (0.41) KMT2ANPC1RAB9ACDK1CCNB1
SCHEMBL6388703 0.86 CCNA2 (0.41) KMT2ANPC1RAB9ACDK1CCNB1
SCHEMBL6390900 0.86 CCNA2 (0.41) KMT2ANPC1RAB9ACDK1CCNB1
SCHEMBL6509220 0.85 NPC1 (0.48) KMT2ANPC1RAB9AEPHX1PRMT3
SCHEMBL6500692 0.84 RAB9A (0.52) KMT2ANPC1RAB9AMEN1TP53
SCHEMBL6505267 0.83 ATM (0.41) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL6388927 0.83 KDM4E (0.41) KMT2ANPC1RAB9AMEN1GAA
SCHEMBL6504984 0.82 SMN1; SMN2 (0.44) NPC1RAB9ACDK1CCNB1CCNA2
SCHEMBL6387573 0.82 SMN1; SMN2 (0.44) NPC1RAB9ACDK1CCNB1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed

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 KMT2A 3213/4885NPC1 277/4885RAB9A 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.